(2S)-2-azanyl-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(2,4-dimethoxy-5-nitrophenyl)sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(2,4-dimethoxy-5-nitrophenyl)sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(2,4-dimethoxy-5-nitro-phenyl)sulfonylpiperazino]-5-keto-valeric acid Formula: C17H24N4O9S MolecularWeight: 460.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N)OC

InChI

InChI=1S/C17H24N4O9S/c1-29-13-10-14(30-2)15(9-12(13)21(25)26)31(27,28)20-7-5-19(6-8-20)16(22)4-3-11(18)17(23)24/h9-11H,3-8,18H2,1-2H3,(H,23,24)/t11-/m0/s1