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

Systemtic Name: (2S)-2-azanyl-5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(4-nitrobenzoyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(4-nitrobenzoyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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