Isoaminopterin

(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid

Also Known As: Isoaminopterin|Iso-Aminopterin|4-Aminoisofolic acid|4-Amino-4-deoxyisopteroic acid|(2S)-2-[[4-[[(2,4-diaminopteridin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid|N-(4-(((2,4-Diamino-6-pteridinyl)amino)methyl)benzoyl)-L-glutamic acid|n-(4-{[(2,4-diaminopteridin-6-yl)amino]methyl}benzoyl)-l-glutamic acid|L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)amino]meth

Molecular Formula	C19H20N8O5
Molecular Weight	440.15567 g/mol
LogP	0.24
Topological Polar Surface Area	219.33 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	440.15567
Heavy Atoms	32
Complexity	1168.3

Chemical Identifiers

CAS Number	53661-94-2
SMILES	C1=CC(=CC=C1CNC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O