(2S)-2-azanyl-5-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(3-nitrobenzoyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(3-nitrobenzoyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(3-nitrobenzoyl)piperazino]valeric acid Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6/c17-13(16(23)24)4-5-14(21)18-6-8-19(9-7-18)15(22)11-2-1-3-12(10-11)20(25)26/h1-3,10,13H,4-9,17H2,(H,23,24)/t13-/m0/s1