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

Systemtic Name: (2S)-2-azanyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(3-nitrophenyl)sulfonylpiperazino]valeric acid Formula: C15H20N4O7S MolecularWeight: 400.4069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O7S/c16-13(15(21)22)4-5-14(20)17-6-8-18(9-7-17)27(25,26)12-3-1-2-11(10-12)19(23)24/h1-3,10,13H,4-9,16H2,(H,21,22)/t13-/m0/s1