methyl 4-[(2-azanyl-2-ethanoylsulfanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2-azanyl-2-ethanoylsulfanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-acetylsulfanyl-2-amino-4-methyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[2-(acetylthio)-2-amino-4-methyl-1-oxopentyl]-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-acetylsulfanyl-2-amino-4-methylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(acetylthio)-2-amino-4-methyl-pentanoyl]-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-4-keto-butyric acid methyl ester Formula: C23H33N3O6S MolecularWeight: 479.58962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)CCC(=O)OC)(N)SC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)CCC(=O)OC)(N)SC(=O)C

InChI

InChI=1S/C23H33N3O6S/c1-15(2)14-23(24,33-16(3)27)22(31)26(19(28)11-12-20(29)32-5)18(21(30)25-4)13-17-9-7-6-8-10-17/h6-10,15,18H,11-14,24H2,1-5H3,(H,25,30)