AC1L8RPX

5-(carboxymethylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid

Also Known As: 5-(carboxymethylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid|Glycine,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-.gamma.-glutamyl]-|N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-gamma-glutamylglycine|4-(Carboxymethyl-carbamoyl)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid

Molecular Formula	C22H25N9O6
Molecular Weight	511.19278 g/mol
LogP	-2.5
Topological Polar Surface Area	240.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	13
Rotatable Bonds	11
Exact Mass	511.19278
Monoisotopic Mass	511.19278
Heavy Atoms	37
Complexity	824.0

Chemical Identifiers

CAS Number	71074-46-9
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCC(=O)O)C(=O)O
InChIKey	UCADQUQKRCWKNP-UHFFFAOYSA-N