Analyte Name

(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-(((2S)-3-(1H-imidazol-4-yl)-2-((2-naphthalen-1-yloxyacetyl)amino)propanoyl)amino)-N-((2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl)-2-propan-2-ylhexanamide

CAS Number

112190-24-6

Molecular Formula

C45 H61 N7 O7

Molecular Weight

812.009

Accurate Mass

811.463

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)COc3cccc4ccccc34)C(=O)NCc5ccccn5

InChI

InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/t29-,35-,36-,39+,40-,41+,42+/m0/s1

IUPAC

(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat