2-[[4-[3-(carboxycarbonylamino)-1,9,10-tris(oxidanylidene)-5,6,6a,7-tetrahydro-4H-pyrazino[1,2-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-(carboxycarbonylamino)-1,9,10-tris(oxidanylidene)-5,6,6a,7-tetrahydro-4H-pyrazino[1,2-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(oxaloamino)-1,9,10-trioxo-5,6,6a,7-tetrahydro-4H-pyrazino[1,2-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-(oxaloamino)-1,9,10-trioxo-5,6,6a,7-tetrahydro-4H-pyrazino[1,2-f]pteridin-8-yl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(oxaloamino)-1,9,10-trioxo-5,6,6a,7-tetrahydro-4H-pyrazino[1,2-f]pteridin-8-yl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[1,9,10-triketo-3-(oxaloamino)-5,6,6a,7-tetrahydro-4H-pyrazino[1,2-f]pteridin-8-yl]benzoyl]amino]glutaric acid Formula: C23H21N7O11 MolecularWeight: 571.45314

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C(=O)C(=O)N2C3=C(N1)NC(=NC3=O)NC(=O)C(=O)O)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C2CN(C(=O)C(=O)N2C3=C(N1)NC(=NC3=O)NC(=O)C(=O)O)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C23H21N7O11/c31-13(32)6-5-12(21(38)39)25-16(33)9-1-3-10(4-2-9)29-8-11-7-24-15-14(30(11)20(37)19(29)36)17(34)27-23(26-15)28-18(35)22(40)41/h1-4,11-12H,5-8H2,(H,25,33)(H,31,32)(H,38,39)(H,40,41)(H3,24,26,27,28,34,35)