4-[[4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate; 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 4-[[4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate; 4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 4-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoate; 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 4-[[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-5-oxopentanoate; 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 4-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate; 4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 4-[[4-[(2-amino-4-keto-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-valerate; 4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carboxylic acid Formula: C33H34N13O9- MolecularWeight: 756.70476

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O

Isomeric SMILES

C1C=C(C=CC1C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N.C1C(=NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O

InChI

InChI=1S/C19H21N7O6.C14H14N6O3/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30);1,3-4,6-7,16H,2,5H2,(H,22,23)(H3,15,17,19,20,21)/p-1