CA-074 Methyl Ester

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Analyte Name

methyl (2S)-1-((2S,3S)-3-methyl-2-(((2S,3S)-3-(propylcarbamoyl)oxirane-2-carbonyl)amino)pentanoyl)pyrrolidine-2-carboxylate

CAS Number

147859-80-1

Molecular Formula

C19H31N3O6

Molecular Weight

397.47

Accurate Mass

397.2213

SMILES

CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1

IUPAC

methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(2S,3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat