(4R)-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]-4-diethoxyphosphoryl-butanoic acid

Systemtic Name: (4R)-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]-4-diethoxyphosphoryl-butanoic acid Openeye Name: (4R)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-diethoxyphosphoryl-butanoic acid CAS Name: (4R)-4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]-4-diethoxyphosphorylbutanoic acid IUPAC Name: (4R)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-diethoxyphosphorylbutanoic acid Traditional Name: (4R)-4-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-4-diethoxyphosphoryl-butyric acid Formula: C23H30N7O7P MolecularWeight: 547.500761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=O)N=C(N3)N)OCC

Isomeric SMILES

CCOP(=O)([C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=O)N=C(N3)N)OCC

InChI

InChI=1S/C23H30N7O7P/c1-4-36-38(35,37-5-2)17(10-11-18(31)32)27-21(33)14-6-8-16(9-7-14)30(3)13-15-12-25-20-19(26-15)22(34)29-23(24)28-20/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,27,33)(H,31,32)(H3,24,25,28,29,34)/t17-/m1/s1