(2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]pentanedioic acid; 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide

Systemtic Name: (2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]pentanedioic acid; 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide Openeye Name: (2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid; 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide CAS Name: (2S)-2-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid; 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide IUPAC Name: (2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid; 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide Traditional Name: 2,3-diketo-6-nitro-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide; (2S)-2-[[(2S)-1-glycylprolyl]amino]glutaric acid Formula: C24H27N7O12S MolecularWeight: 637.57588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN)C(=O)NC(CCC(=O)O)C(=O)O.C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3

InChI

InChI=1S/C12H8N4O6S.C12H19N3O6/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6;13-6-9(16)15-5-1-2-8(15)11(19)14-7(12(20)21)3-4-10(17)18/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22);7-8H,1-6,13H2,(H,14,19)(H,17,18)(H,20,21)/t;7-,8-/m.0/s1