(2S)-2-azanyl-5-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-(2-hydroxy-5-nitro-3-sulfo-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-(2-hydroxy-5-nitro-3-sulfoanilino)-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-(2-hydroxy-5-nitro-3-sulfoanilino)-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-(2-hydroxy-5-nitro-3-sulfo-anilino)-5-keto-valeric acid Formula: C11H13N3O9S MolecularWeight: 363.30062

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O9S/c12-6(11(17)18)1-2-9(15)13-7-3-5(14(19)20)4-8(10(7)16)24(21,22)23/h3-4,6,16H,1-2,12H2,(H,13,15)(H,17,18)(H,21,22,23)/t6-/m0/s1