gamma-tert-Butyl methotrexate

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

Also Known As: gamma-Tbmtx|gamma-tert-Butyl methotrexate|2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid|(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid|L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, 5-(1,1-dimethylethyl) ester|L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1,1-dimethylethyl ester|L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 5-(1,1-dimethylethyl) ester

Molecular Formula	C24H30N8O5
Molecular Weight	510.23392 g/mol
LogP	1.53
Topological Polar Surface Area	199.54 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	510.23392
Heavy Atoms	37
Complexity	1307.0

Chemical Identifiers

CAS Number	79640-76-9
SMILES	CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N