AC1L8OTM

2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxo-5-(pentylamino)pentanoic acid

Also Known As: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxo-5-(pentylamino)pentanoic acid|L-Glutamine,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N-pentyl-|N~2~-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-N-pentylglutamine|2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-pentylcarbamoyl-butyric acid

Molecular Formula	C25H33N9O4
Molecular Weight	523.26556 g/mol
LogP	-0.3
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	13
Exact Mass	523.26556
Monoisotopic Mass	523.26556
Heavy Atoms	38
Complexity	780.0

Chemical Identifiers

CAS Number	64801-59-8
SMILES	CCCCCNC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChIKey	IOUZGHRFZVBUGI-UHFFFAOYSA-N