CHEMBL284360

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

Also Known As: 5-(benzylamino)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid|L-Glutamine,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-N-(phenylmethyl)-|N-Benzyl-N~2~-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamine|4-Benzylcarbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid

Molecular Formula	C27H29N9O4
Molecular Weight	543.23425 g/mol
LogP	-0.6
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	11
Exact Mass	543.23425
Monoisotopic Mass	543.23425
Heavy Atoms	40
Complexity	850.0

Chemical Identifiers

CAS Number	71074-45-8
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCC4=CC=CC=C4)C(=O)O
InChIKey	MXDDHQREZRYBOV-UHFFFAOYSA-N