(2R,3S)-N1-((S)-3-(4-benzoylphenyl)-1-(hex-5-yn-1-ylamino)-1-oxopropan-2-yl)-N4,3-dihydroxy-2-isobutylsuccinamide

Analyte Name

(2R,3S)-N1-((S)-3-(4-benzoylphenyl)-1-(hex-5-yn-1-ylamino)-1-oxopropan-2-yl)-N4,3-dihydroxy-2-isobutylsuccinamide

CAS Number

870070-97-6

Molecular Formula

C30 H37 N3 O6

Molecular Weight

535.631

Accurate Mass

535.268

SMILES

CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NCCCCC#C

InChI

InChI=1S/C30H37N3O6/c1-4-5-6-10-17-31-29(37)25(32-28(36)24(18-20(2)3)27(35)30(38)33-39)19-21-13-15-23(16-14-21)26(34)22-11-8-7-9-12-22/h1,7-9,11-16,20,24-25,27,35,39H,5-6,10,17-19H2,2-3H3,(H,31,37)(H,32,36)(H,33,38)/t24-,25+,27+/m1/s1

IUPAC

(2R,3S)-N-[(2S)-3-(4-benzoylphenyl)-1-(hex-5-ynylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

Country of Origin

CANADA

Product Format

Neat