methyl 5-[(2-azanyl-4-methyl-2-sulfanyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(2-azanyl-4-methyl-2-sulfanyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(2-amino-4-methyl-2-sulfanyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-2-methyl-5-oxo-pentanoate CAS Name: 5-[(2-amino-2-mercapto-4-methyl-1-oxopentyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(2-amino-4-methyl-2-sulfanylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-5-oxopentanoate Traditional Name: 5-[(2-amino-2-mercapto-4-methyl-pentanoyl)-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-5-keto-2-methyl-valeric acid methyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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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(C)C(=O)OC)(N)S

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O5S/c1-15(2)14-23(24,32)22(30)26(19(27)12-11-16(3)21(29)31-5)18(20(28)25-4)13-17-9-7-6-8-10-17/h6-10,15-16,18,32H,11-14,24H2,1-5H3,(H,25,28)