ethyl 2-[[2-[[2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]sulfamoyl]benzoate

Systemtic Name: ethyl 2-[[2-[[2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]sulfamoyl]benzoate Openeye Name: ethyl 2-[[2-[[2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-isoxazol-5-ylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]sulfamoyl]benzoate CAS Name: 2-[[2-[[2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-3-[4-(5-isoxazolyl)phenyl]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[2-[(3,5-dimethylbenzoyl)-methylamino]-3-[4-(1,2-oxazol-5-yl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]sulfamoyl]benzoate Traditional Name: 2-[[2-[[2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-isoxazol-5-ylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]sulfamoyl]benzoic acid ethyl ester Formula: C42H41N5O8S MolecularWeight: 775.86864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)C5=CC=NO5)N(C)C(=O)C6=CC(=CC(=C6)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)C5=CC=NO5)N(C)C(=O)C6=CC(=CC(=C6)C)C

InChI

InChI=1S/C42H41N5O8S/c1-5-54-42(51)33-11-7-9-13-38(33)56(52,53)46-39(48)35(24-31-25-43-34-12-8-6-10-32(31)34)45-40(49)36(47(4)41(50)30-21-26(2)20-27(3)22-30)23-28-14-16-29(17-15-28)37-18-19-44-55-37/h6-22,25,35-36,43H,5,23-24H2,1-4H3,(H,45,49)(H,46,48)