Name: (4S)-4-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate

SMILES: C1C(=NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O

Molecular Processing

Molecular formula

C19H20N7O6-

Molecular weight

442.41

Exact mass

442.1481

XLogP

-1.32

TPSA

214.72

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

-1

Heteroatoms

Covalent units

Fraction Csp3

0.263

Molar refractivity

112.92

Supplementary Information

InChIKey: OZRNSSUDZOLUSN-LBPRGKRZSA-M

Synonyme

OZRNSSUDZOLUSN-LBPRGKRZSA-M