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

Systemtic Name: methyl 7-[(2-azanyl-4-methyl-2-sulfanyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-7-oxidanylidene-heptanoate Openeye Name: methyl 7-[(2-amino-4-methyl-2-sulfanyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-7-oxo-heptanoate CAS Name: 7-[(2-amino-2-mercapto-4-methyl-1-oxopentyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-7-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-[(2-amino-4-methyl-2-sulfanylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-7-oxoheptanoate Traditional Name: 7-[(2-amino-2-mercapto-4-methyl-pentanoyl)-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-7-keto-enanthic acid methyl ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O5S/c1-17(2)16-24(25,33)23(31)27(20(28)13-9-6-10-14-21(29)32-4)19(22(30)26-3)15-18-11-7-5-8-12-18/h5,7-8,11-12,17,19,33H,6,9-10,13-16,25H2,1-4H3,(H,26,30)