(2S)-5-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-(4-ethanoylpiperazin-1-yl)-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-5-(4-acetylpiperazin-1-yl)-2-(benzyloxycarbonylamino)-5-oxo-pentanoic acid CAS Name: (2S)-5-(4-acetyl-1-piperazinyl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-(4-acetylpiperazin-1-yl)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-5-(4-acetylpiperazino)-2-(benzyloxycarbonylamino)-5-keto-valeric acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H25N3O6/c1-14(23)21-9-11-22(12-10-21)17(24)8-7-16(18(25)26)20-19(27)28-13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,20,27)(H,25,26)/t16-/m0/s1