Analyte Name

N-(4-(((4S)-4-((4-(((2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)amino)-4-carboxy-1-oxobutyl)amino)benzoyl)-L-Glutamic Acid

CAS Number

2366274-27-1

Molecular Formula

C31 H31 N9 O10

Molecular Weight

689.632

Accurate Mass

689.219

SMILES

NC1=Nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)Nc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)nc2C(=O)N1

InChI

InChI=1S/C31H31N9O10/c32-31-39-25-24(28(46)40-31)36-19(14-34-25)13-33-17-5-1-15(2-6-17)26(44)37-20(29(47)48)9-11-22(41)35-18-7-3-16(4-8-18)27(45)38-21(30(49)50)10-12-23(42)43/h1-8,14,20-21,33H,9-13H2,(H,35,41)(H,37,44)(H,38,45)(H,42,43)(H,47,48)(H,49,50)(H3,32,34,39,40,46)/t20-,21-/m0/s1

IUPAC

(2S)-2-[[4-[[(4S)-4-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]benzoyl]amino]pentanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat