(phenylmethyl) 2-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-pentanoate Openeye Name: benzyl 2-[[1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-3-methyl-butyl]amino]-4-methyl-pentanoate CAS Name: 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentanoate Traditional Name: 2-[[1-[(2-amino-1-benzyl-2-keto-ethyl)carbamoyl]-3-methyl-butyl]amino]-4-methyl-valeric acid benzyl ester Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(CC(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(CC(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H39N3O4/c1-19(2)15-24(27(33)31-23(26(29)32)17-21-11-7-5-8-12-21)30-25(16-20(3)4)28(34)35-18-22-13-9-6-10-14-22/h5-14,19-20,23-25,30H,15-18H2,1-4H3,(H2,29,32)(H,31,33)