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Orb3135892

CAS 3028453-70-2Formula C38H65N5O8Molar mass 719.97 g/mol
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Orb3135892 chemical structure, C38H65N5O8, CAS 3028453-70-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3028453-70-2
Formula
C38H65N5O8
Molar mass
719.97 g/mol
HS code
293399
Category
Peptides

What is Orb3135892?

Plain description, key identifiers and synonyms

Orb3135892 is a chemical substance with the molecular formula C38H65N5O8 and a molar mass of 719.97 g/mol. Its CAS registry number is 3028453-70-2. The IUPAC name is (2S)-2-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2S)-2-(dimethylamino)-3-hydroxypropanoyl]amino]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
CAS number
3028453-70-2
Molecular formula
C38H65N5O8
InChIKey
LTEMWCRPAPDRJZ-ZMRJGPQJSA-N
InChI
InChI=1S/C38H65N5O8/c1-11-25(4)34(42(8)38(49)33(24(2)3)40-37(48)30(23-45)41(6)7)31(50-9)21-32(46)43-19-15-18-29(43)35(51-10)26(5)36(47)39-28(22-44)20-27-16-13-12-14-17-27/h12-14,16-17,24-26,28-31,33-35,44-45H,11,15,18-23H2,1-10H3,(H,39,47)(H,40,48)/t25-,26+,28-,29-,30-,31+,33-,34-,35+/m0/s1
Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(CO)Cc1ccccc1)OC)N(C)C(=O)C(NC(=O)C(CO)N(C)C)C(C)C
Isomeric SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)CO)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N(C)C

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
719.97 g/molcalc.
Exact mass
719.4833 Dacalc.
LogP (octanol/water)
1.69calc.
Topological polar surface area
161 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
21calc.
Heavy atoms
51calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.74calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Passes (1 violation)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(CCC1CCCN1)NCCc1ccccc1

O=C(CCC1CCCN1)NCCc1ccccc1

2 rings, 18 atoms.

46 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.

Orb3135892 suppliers

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Orb3135892 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 Orb3135892 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3135892 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3135892, based on the data on this page

What is Orb3135892?

Orb3135892 is a chemical substance with the molecular formula C38H65N5O8 and a molar mass of 719.97 g/mol. Its CAS registry number is 3028453-70-2.

What is the CAS number of Orb3135892?

The CAS registry number of Orb3135892 is 3028453-70-2.

What is the molecular formula and weight of Orb3135892?

The molecular formula of Orb3135892 is C38H65N5O8 and its molar mass is 719.97 g/mol.

Is Orb3135892 hazardous?

No GHS hazard classification for Orb3135892 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 Orb3135892?

Orb3135892 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3135892?

Post a free request on CompoundList and suppliers of Orb3135892 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3135892?

Suppliers quote Orb3135892 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

Practical guides that help when you source, ship or handle Orb3135892

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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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