(2S)-2-azanyl-5-oxidanylidene-5-[4-(phenylcarbonyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[4-(phenylcarbonyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-amino-5-(4-benzoylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(4-benzoyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(4-benzoylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-(4-benzoylpiperazino)-5-keto-valeric acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)N)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O4/c17-13(16(22)23)6-7-14(20)18-8-10-19(11-9-18)15(21)12-4-2-1-3-5-12/h1-5,13H,6-11,17H2,(H,22,23)/t13-/m0/s1