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

Systemtic Name: methyl 3-[(2-azanyl-4-methyl-pentanoyl)-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]propanoate Openeye Name: methyl 3-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]propanoate CAS Name: 3-[(2-amino-4-methyl-1-oxopentyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-4-methylpentanoyl)-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]propanoate Traditional Name: 3-[(2-amino-4-methyl-pentanoyl)-[1-benzyl-2-keto-2-(methylamino)ethyl]amino]propionic acid methyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4/c1-14(2)12-16(21)20(26)23(11-10-18(24)27-4)17(19(25)22-3)13-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13,21H2,1-4H3,(H,22,25)