Tetrahydromethotrexate

(2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid

Also Known As: Tetrahydromethotrexate|Tetrahydroamethopterin|(2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid|(2S)-2-[[4-[(2,4-DIAMINO-5,6,7,8-TETRAHYDROPTERIDIN-6-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]PENTANEDIOIC ACID|(4-(((2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl)(methyl)amino)benzoyl)-L-glutamic acid|L-Glutamic acid, N-(4-(((2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl)methylamino)benzoyl)-|n-(4-{[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl](methyl)amino}benzoyl)-l-glutamic acid|2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid|2-[[4-[(2,4-Diamino-5,6,7,8-tetrahydropteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioicacid

Molecular Formula	C20H26N8O5
Molecular Weight	458.2026 g/mol
LogP	0.03
Topological Polar Surface Area	208.82 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	458.2026
Heavy Atoms	33
Complexity	1045.5

Chemical Identifiers

CAS Number	4299-28-9
SMILES	CN(CC1CNC2=NC(=NC(=C2N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O