Free for buyers, contact details stay privateFree for buyers. Your contact details stay private until you accept a quote.

Sign in Join free

Murcko scaffold

Ring system with 4 rings and 32 atoms

23 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 32
Chemicals: 23
With full pages: 3

Scaffold SMILES

O=C(NC(CCNS(=O)(=O)c1ccccc1)Cc1ccccc1)OC1COC2OCCC12

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold

Murcko scaffold O=C(NC(CCNS(=O)(=O)c1ccccc1)Cc1ccccc1)OC1COC2OCCC12

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 23 of 23 chemicals

(3R,3aS,6aR)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate chemical structure, C28H38N2O8S, CAS 206362-00-7

(3R,3aS,6aR)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate

CAS 206362-00-7C₂₈H₃₈N₂O₈S

Darunavir chemical structure, C27H37N3O7S, CAS 206361-99-1

CAS 206361-99-1C₂₇H₃₇N₃O₇S

Rgw6L7U5XX chemical structure, C27H37N3O7S, CAS 799241-73-9

CAS 799241-73-9C₂₇H₃₇N₃O₇S

Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester chemical structure, C28H35N3O7S, CAS 553645-10-6

Carbamic acid, [(1S,2R)-3-[[(4-cyanophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester

CAS 553645-10-6C₂₈H₃₅N₃O₇S

(3R,3AS,6AR)-Hexahydrofuro(2,3-B)furan-3-yl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-nitrophenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate chemical structure, C27H35N3O9S, CAS 799241-76-2

(3R,3AS,6AR)-Hexahydrofuro(2,3-B)furan-3-yl ((2S,3R)-3-hydroxy-4-((N-isobutyl-4-nitrophenyl)sulfonamido)-1-phenylbutan-2-yl)carbamate

CAS 799241-76-2C₂₇H₃₅N₃O₉S

GS-8374 chemical structure, C33H49N2O12PS, CAS 622865-01-4

CAS 622865-01-4C₃₃H₄₉N₂O₁₂PS

4-Hydroxy darunavir chemical structure, C27H37N3O8S, CAS 313682-97-2

4-Hydroxy darunavir

CAS 313682-97-2C₂₇H₃₇N₃O₈S

Darunavir ethanolate chemical structure, C29H43N3O8S, CAS 635728-49-3

Darunavir ethanolate

CAS 635728-49-3C₂₉H₄₃N₃O₈S

Darunavir-d9 chemical structure, C27H37N3O7S, CAS 1133378-37-6

CAS 1133378-37-6C₂₇H₃₇N₃O₇S

2-Epi-darunavir chemical structure, C27H37N3O7S, CAS 850141-19-4

2-Epi-darunavir

CAS 850141-19-4C₂₇H₃₇N₃O₇S

Darunavir hydrate chemical structure, C27H39N3O8S, CAS 635728-40-4

Darunavir hydrate

CAS 635728-40-4C₂₇H₃₉N₃O₈S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-1-[(4-formylphenyl)methyl]-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]carbamate chemical structure, C29H38N2O9S, CAS 622866-42-6

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2R)-1-[(4-formylphenyl)methyl]-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]carbamate

CAS 622866-42-6C₂₉H₃₈N₂O₉S

(1R,2S)-Darunavir chemical structure, C27H37N3O7S, CAS 1402142-63-5

(1R,2S)-Darunavir

CAS 1402142-63-5C₂₇H₃₇N₃O₇S

Darunavir propylene glycolate chemical structure, C30H45N3O9S, CAS 1447721-06-3

Darunavir propylene glycolate

CAS 1447721-06-3C₃₀H₄₅N₃O₉S

Darunavir metabolite M23 chemical structure, C27H37N3O8S, CAS 1130635-75-4

Darunavir metabolite M23

CAS 1130635-75-4C₂₇H₃₇N₃O₈S

Hydroxy darunavir chemical structure, C27H37N3O8S

Hydroxy darunavir

C₂₇H₃₇N₃O₈S

(+)-Darunavir chemical structure, C27H37N3O7S, CAS 1399859-60-9

CAS 1399859-60-9C₂₇H₃₇N₃O₇S

[(3aS,4R,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[[4-(methylcarbamoylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate chemical structure, C29H40N4O8S, CAS 1451010-37-9

[(3aS,4R,6aR)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[[4-(methylcarbamoylamino)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

CAS 1451010-37-9C₂₉H₄₀N₄O₈S

3'-Hydroxy darunavir chemical structure, C27H37N3O8S, CAS 1159613-24-7

3'-Hydroxy darunavir

CAS 1159613-24-7C₂₇H₃₇N₃O₈S

1-Epi-darunavir chemical structure, C27H37N3O7S, CAS 1546918-95-9

1-Epi-darunavir

CAS 1546918-95-9C₂₇H₃₇N₃O₇S

N-Acetyl darunavir chemical structure, C29H39N3O8S, CAS 1546919-11-2

N-Acetyl darunavir

CAS 1546919-11-2C₂₉H₃₉N₃O₈S

Darunavir dihydrate chemical structure, C27H41N3O9S, CAS 2281870-65-1

Darunavir dihydrate

CAS 2281870-65-1C₂₇H₄₁N₃O₉S

Darunavir propanolate chemical structure, C30H45N3O8S, CAS 1946799-47-8

Darunavir propanolate

CAS 1946799-47-8C₃₀H₄₅N₃O₈S