5-Deazaaminopterin

(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Also Known As: 5-Deazaaminopterin|L-Glutamic acid, N-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)amino)benzoyl)-|n-(4-{[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)-l-glutamic acid|2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid|N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methylamino]benzoyl]-L-glutamic acid|N-[4-[[(2,4-Diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]amino]benzoyl]-L-glutamic acid|(2S)-2-({4-[({2,4-diaminopyrido[2,3-d]pyrimidin-6-yl}methyl)amino]phenyl}formamido)pentanedioic acid|(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Molecular Formula	C20H21N7O5
Molecular Weight	439.16043 g/mol
LogP	0.85
Topological Polar Surface Area	206.44 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	439.16043
Heavy Atoms	32
Complexity	1167.0

Chemical Identifiers

CAS Number	80360-09-4
SMILES	C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CC3=C(N=C(N=C3N=C2)N)N