5-Deazaaminopterin

HCID 97272CAS 80360-09-4

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1
InChIKey: QLPRLGAHKHCVEW-AWEZNQCLSA-N
Molecular formula: C20H21N7O5
Average molar mass: 439.4 g/mol
Monoisotopic mass: 439.1604168

Names & identifiers

Preferred name: 5-Deazaaminopterin
IUPAC: (2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

Names & synonyms

5-Deazaaminopterin80360-09-4L-Glutamic acid, N-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)amino)benzoyl)-RefChem:102431NSC 110183SCHEMBL10983631QLPRLGAHKHCVEW-AWEZNQCLSA-NN-[4-[(2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methylamino]benzoyl]-L-glutamic acid