(2S)-5-(((6R,7S)-4-(6-(Benzyloxy)-6-oxohexyl)-6,7-dihydroxy-4,5,6,7,8,8a-hexahydroimidazo[4,5-b]azepin-2-yl)amino)-2-(((benzyloxy)carbonyl)amino)pentanoic Acid

Analyte Name

(2S)-5-(((6R,7S)-4-(6-(Benzyloxy)-6-oxohexyl)-6,7-dihydroxy-4,5,6,7,8,8a-hexahydroimidazo[4,5-b]azepin-2-yl)amino)-2-(((benzyloxy)carbonyl)amino)pentanoic Acid

Molecular Formula

C33 H43 N5 O8

Molecular Weight

637.723

Accurate Mass

637.311

SMILES

O[C@@H]1CN(CCCCCC(=O)OCc2ccccc2)C3=NC(=NC3C[C@@H]1O)NCCC[C@H](NC(=O)OCc4ccccc4)C(=O)O

InChI

InChI=1S/C33H43N5O8/c39-27-19-26-30(38(20-28(27)40)18-9-3-8-16-29(41)45-21-23-11-4-1-5-12-23)37-32(35-26)34-17-10-15-25(31(42)43)36-33(44)46-22-24-13-6-2-7-14-24/h1-2,4-7,11-14,25-28,39-40H,3,8-10,15-22H2,(H,34,35)(H,36,44)(H,42,43)/t25-,26?,27-,28+/m0/s1

IUPAC

(2S)-5-[[(6R,7S)-6,7-dihydroxy-4-(6-oxo-6-phenylmethoxyhexyl)-6,7,8,8a-tetrahydro-5H-imidazo[4,5-b]azepin-2-yl]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat