beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-

3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoic acid

Also Known As: 6-MAB-beta-ALA|beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-|N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-beta-alanine|N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-beta-alanine|beta-Alanine, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-|N-[p-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-beta-alanine|3-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]propanoic acid|3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoic acid|N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-beta-alanine

Molecular Formula	C18H20N8O3
Molecular Weight	396.16583 g/mol
LogP	0.4251
Topological Polar Surface Area	173.24 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	396.16583
Monoisotopic Mass	396.16583
Heavy Atoms	29
Complexity	1054.9056

Chemical Identifiers

CAS Number	68352-93-2
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCC(=O)O