[2-(phenylcarbamoylamino)phenyl] 2-[(2-azanyl-4-methylsulfanyl-butanoyl)-ethanoyl-amino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-(phenylcarbamoylamino)phenyl] 2-[(2-azanyl-4-methylsulfanyl-butanoyl)-ethanoyl-amino]-3-(4-methoxyphenyl)propanoate Openeye Name: [2-(phenylcarbamoylamino)phenyl] 2-[acetyl-(2-amino-4-methylsulfanyl-butanoyl)amino]-3-(4-methoxyphenyl)propanoate CAS Name: 2-[acetyl-[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(4-methoxyphenyl)propanoic acid [2-[[anilino(oxo)methyl]amino]phenyl] ester IUPAC Name: [2-(phenylcarbamoylamino)phenyl] 2-[acetyl-(2-amino-4-methylsulfanylbutanoyl)amino]-3-(4-methoxyphenyl)propanoate Traditional Name: 2-[acetyl-[2-amino-4-(methylthio)butanoyl]amino]-3-(4-methoxyphenyl)propionic acid [2-(phenylcarbamoylamino)phenyl] ester Formula: C30H34N4O6S MolecularWeight: 578.67916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CC1=CC=C(C=C1)OC)C(=O)OC2=CC=CC=C2NC(=O)NC3=CC=CC=C3)C(=O)C(CCSC)N

Isomeric SMILES

CC(=O)N(C(CC1=CC=C(C=C1)OC)C(=O)OC2=CC=CC=C2NC(=O)NC3=CC=CC=C3)C(=O)C(CCSC)N

InChI

InChI=1S/C30H34N4O6S/c1-20(35)34(28(36)24(31)17-18-41-3)26(19-21-13-15-23(39-2)16-14-21)29(37)40-27-12-8-7-11-25(27)33-30(38)32-22-9-5-4-6-10-22/h4-16,24,26H,17-19,31H2,1-3H3,(H2,32,33,38)