methyl 6-[(2-azanyl-2-ethanoylsulfanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[(2-azanyl-2-ethanoylsulfanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[(2-acetylsulfanyl-2-amino-4-methyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-6-oxo-hexanoate CAS Name: 6-[[2-(acetylthio)-2-amino-4-methyl-1-oxopentyl]-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[(2-acetylsulfanyl-2-amino-4-methylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoate Traditional Name: 6-[[2-(acetylthio)-2-amino-4-methyl-pentanoyl]-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-6-keto-hexanoic acid methyl ester Formula: C25H37N3O6S MolecularWeight: 507.64278

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O6S/c1-17(2)16-25(26,35-18(3)29)24(33)28(21(30)13-9-10-14-22(31)34-5)20(23(32)27-4)15-19-11-7-6-8-12-19/h6-8,11-12,17,20H,9-10,13-16,26H2,1-5H3,(H,27,32)