methyl 7-[(2-azanyl-2-ethanoylsulfanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-7-oxidanylidene-heptanoate

Systemtic Name: methyl 7-[(2-azanyl-2-ethanoylsulfanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-7-oxidanylidene-heptanoate Openeye Name: methyl 7-[(2-acetylsulfanyl-2-amino-4-methyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-7-oxo-heptanoate CAS Name: 7-[[2-(acetylthio)-2-amino-4-methyl-1-oxopentyl]-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-7-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-[(2-acetylsulfanyl-2-amino-4-methylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-7-oxoheptanoate Traditional Name: 7-[[2-(acetylthio)-2-amino-4-methyl-pentanoyl]-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-7-keto-enanthic acid methyl ester Formula: C26H39N3O6S MolecularWeight: 521.66936

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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)CCCCCC(=O)OC)(N)SC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O6S/c1-18(2)17-26(27,36-19(3)30)25(34)29(22(31)14-10-7-11-15-23(32)35-5)21(24(33)28-4)16-20-12-8-6-9-13-20/h6,8-9,12-13,18,21H,7,10-11,14-17,27H2,1-5H3,(H,28,33)