Analyte Name

(6S,9R,12S)-Benzyl 12-Benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate (SM1-B)

CAS Number

2049024-22-6

Molecular Formula

C37 H47 N3 O6

Molecular Weight

629.786

Accurate Mass

629.346

SMILES

CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)OCc3ccccc3

InChI

InChI=1S/C37H47N3O6/c1-26(2)23-31(38-33(41)30(40-36(44)46-37(3,4)5)22-21-27-15-9-6-10-16-27)34(42)39-32(24-28-17-11-7-12-18-28)35(43)45-25-29-19-13-8-14-20-29/h6-20,26,30-32H,21-25H2,1-5H3,(H,38,41)(H,39,42)(H,40,44)/t30-,31+,32-/m0/s1

IUPAC

benzyl (2S)-2-[[(2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat