(phenylmethyl) (2S)-4-[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-3-oxidanylidene-2-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-4-[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-3-oxidanylidene-2-(phenylmethyl)piperazine-1-carboxylate Openeye Name: benzyl (2S)-2-benzyl-4-[(1S)-1-carbamoyl-3-methyl-butyl]-3-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-oxo-2-(phenylmethyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2-benzyl-3-oxopiperazine-1-carboxylate Traditional Name: (2S)-2-benzyl-4-[(1S)-1-carbamoyl-3-methyl-butyl]-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N1CCN(C(C1=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)N1CCN([C@H](C1=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-18(2)15-21(23(26)29)27-13-14-28(25(31)32-17-20-11-7-4-8-12-20)22(24(27)30)16-19-9-5-3-6-10-19/h3-12,18,21-22H,13-17H2,1-2H3,(H2,26,29)/t21-,22-/m0/s1