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

Systemtic Name: methyl 3-[(2-azanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-propanoate Openeye Name: methyl 3-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-2-methyl-propanoate CAS Name: 3-[(2-amino-4-methyl-1-oxopentyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-4-methylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methylpropanoate Traditional Name: 3-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-2-methyl-propionic acid methyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O4/c1-14(2)11-17(22)20(26)24(13-15(3)21(27)28-5)18(19(25)23-4)12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13,22H2,1-5H3,(H,23,25)