methyl 5-azanyl-5-oxidanylidene-2-[[2-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 5-azanyl-5-oxidanylidene-2-[[2-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]phenyl]carbonylamino]pentanoate Openeye Name: methyl 5-amino-5-oxo-2-[[2-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]pentanoate CAS Name: 5-amino-2-[[[5-[(4-mercapto-2-pyrrolidinyl)methylamino]-2-phenylphenyl]-oxomethyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-amino-5-oxo-2-[[2-phenyl-5-[(4-sulfanylpyrrolidin-2-yl)methylamino]benzoyl]amino]pentanoate Traditional Name: 5-amino-5-keto-2-[[5-[(4-mercaptopyrrolidin-2-yl)methylamino]-2-phenyl-benzoyl]amino]valeric acid methyl ester Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)N)NC(=O)C1=C(C=CC(=C1)NCC2CC(CN2)S)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCC(=O)N)NC(=O)C1=C(C=CC(=C1)NCC2CC(CN2)S)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O4S/c1-32-24(31)21(9-10-22(25)29)28-23(30)20-12-16(26-13-17-11-18(33)14-27-17)7-8-19(20)15-5-3-2-4-6-15/h2-8,12,17-18,21,26-27,33H,9-11,13-14H2,1H3,(H2,25,29)(H,28,30)