3-[(4-{[(2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]hexanedioic acid
AlkaPlorer ID: AK318956
Synonym: None
IUPAC Name: None
Structure
SMILES: N=C1N=C(O)C2=C(NC[C@H](CNC3=CC=C(C(=O)N[C@@H](CCC(=O)O)CC(=O)O)C=C3)N2C=O)N1
InChI: InChI=1S/C21H25N7O7/c22-21-26-18-17(20(35)27-21)28(10-29)14(9-24-18)8-23-12-3-1-11(2-4-12)19(34)25-13(7-16(32)33)5-6-15(30)31/h1-4,10,13-14,23H,5-9H2,(H,25,34)(H,30,31)(H,32,33)(H4,22,24,26,27,35)/t13-,14-/m0/s1
InChIKey: MPJKWIXIYCLVCU-KBPBESRZSA-N
Reference
NPASS: NPC193812
Source
Properties Information
Molecule Weight: 487.4730000000002
TPSA？: 220.83
MolLogP？: -0.0983299999999982
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 3
Activities Information
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