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Complement C3a, (tyr-70-77)

Also known as Complement 3a(tyr-70-77), C3a(Tyrosyl-70-77), Nonapeptide C3a(tyr-70-77)

CAS 125753-03-9Formula C44H70N14O12Molar mass 987.13 g/mol
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Complement C3a, (tyr-70-77) chemical structure, C44H70N14O12, CAS 125753-03-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
125753-03-9
Formula
C44H70N14O12
Molar mass
987.13 g/mol
HS code
293329
Category
Peptides

What is Complement C3a, (tyr-70-77)?

Plain description, key identifiers and synonyms

Complement C3a, (tyr-70-77) is a chemical substance with the molecular formula C44H70N14O12 and a molar mass of 987.13 g/mol. Its CAS registry number is 125753-03-9. The IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CAS number
125753-03-9 CAS number cross-checked
Molecular formula
C44H70N14O12
InChIKey
MYJNAAHCNXENGH-FDRYRYEMSA-N
InChI
InChI=1S/C44H70N14O12/c1-22(2)14-31(39(65)50-19-35(61)54-32(15-23(3)4)40(66)53-25(6)36(62)55-30(43(69)70)8-7-13-49-44(46)47)56-41(67)33(17-27-18-48-21-51-27)57-42(68)34(20-59)58-37(63)24(5)52-38(64)29(45)16-26-9-11-28(60)12-10-26/h9-12,18,21-25,29-34,59-60H,7-8,13-17,19-20,45H2,1-6H3,(H,48,51)(H,50,65)(H,52,64)(H,53,66)(H,54,61)(H,55,62)(H,56,67)(H,57,68)(H,58,63)(H,69,70)(H4,46,47,49)/t24-,25-,29-,30-,31-,32-,33-,34-/m0/s1
Canonical SMILES
CC(C)CC(NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O
Isomeric SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

Synonyms

  • Complement 3a(tyr-70-77)
  • C3a(Tyrosyl-70-77)
  • Nonapeptide C3a(tyr-70-77)
  • L-Tyrosyl-L-alanyl-L-seryl-L-histidyl-L-leucylglycyl-L-leucyl-L-alanyl-N~5~-(diaminomethylidene)-L-ornithine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
987.13 g/molcalc.
Exact mass
986.5298 Dacalc.
LogP (octanol/water)
-4calc.
Topological polar surface area
429.7 Ųcalc.
Hydrogen bond donors
15calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
30calc.
Heavy atoms
70calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CCc1ccccc1)NCC(=O)NCC(=O)NCCc1cnc[nH]1

O=C(CCc1ccccc1)NCC(=O)NCC(=O)NCCc1cnc[nH]1

2 rings, 26 atoms.

22 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Complement C3a, (tyr-70-77) suppliers

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Complement C3a, (tyr-70-77) price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Complement C3a, (tyr-70-77) is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Complement C3a, (tyr-70-77) is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Complement C3a, (tyr-70-77), based on the data on this page

What is Complement C3a, (tyr-70-77)?

Complement C3a, (tyr-70-77) is a chemical substance with the molecular formula C44H70N14O12 and a molar mass of 987.13 g/mol. Its CAS registry number is 125753-03-9.

What is the CAS number of Complement C3a, (tyr-70-77)?

The CAS registry number of Complement C3a, (tyr-70-77) is 125753-03-9.

What is the molecular formula and weight of Complement C3a, (tyr-70-77)?

The molecular formula of Complement C3a, (tyr-70-77) is C44H70N14O12 and its molar mass is 987.13 g/mol.

Is Complement C3a, (tyr-70-77) hazardous?

No GHS hazard classification for Complement C3a, (tyr-70-77) is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Complement C3a, (tyr-70-77)?

Complement C3a, (tyr-70-77) is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Complement C3a, (tyr-70-77)?

Post a free request on CompoundList and suppliers of Complement C3a, (tyr-70-77) will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Complement C3a, (tyr-70-77)?

Suppliers quote Complement C3a, (tyr-70-77) on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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