2-azanyl-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-heptanedioic acid

Systemtic Name: 2-azanyl-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-heptanedioic acid Openeye Name: 2-amino-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-2-(1H-imidazol-5-ylmethyl)-3-oxo-heptanedioic acid CAS Name: 2-amino-4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-2-(1H-imidazol-5-ylmethyl)-3-oxoheptanedioic acid IUPAC Name: 2-amino-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-2-(1H-imidazol-5-ylmethyl)-3-oxoheptanedioic acid Traditional Name: 2-amino-4-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-2-(1H-imidazol-5-ylmethyl)-3-keto-pimelic acid Formula: C25H26N10O7 MolecularWeight: 578.53674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)C(CC2=CN=CN2)(C(=O)O)N)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)C(CC2=CN=CN2)(C(=O)O)N)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C25H26N10O7/c26-24-34-20-18(22(40)35-24)32-15(10-30-20)9-29-13-3-1-12(2-4-13)21(39)33-16(5-6-17(36)37)19(38)25(27,23(41)42)7-14-8-28-11-31-14/h1-4,8,10-11,16,29H,5-7,9,27H2,(H,28,31)(H,33,39)(H,36,37)(H,41,42)(H3,26,30,34,35,40)