Analyte Name

(2R)-2-[2-[(5R,6S,7S,9S,11S,16S,18S,19S)-19-amino-6-[(3S)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

CAS Number

1001600-56-1

Molecular Formula

C70H96N10O8

Molecular Weight

1205.6

Accurate Mass

1204.74

SMILES

[C@H]([C@H](NC(=O)[C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C2CCCCC2)=O)CCC1)C(NCCCCCCNC([C@H]([C@@H](C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)[C@H]5N(C([C@@H](NC([C@@H](NC)C)=O)C6CCCCC6)=O)CCC5)=O)=O)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C70H96N10O8/c1-47(71-3)63(81)75-59(53-37-21-11-22-38-53)69(87)79-45-27-41-55(79)65(83)77-61(57(49-29-13-7-14-30-49)50-31-15-8-16-32-50)67(85)73-43-25-5-6-26-44-74-68(86)62(58(51-33-17-9-18-34-51)52-35-19-10-20-36-52)78-66(84)56-42-28-46-80(56)70(88)60(54-39-23-12-24-40-54)76-64(82)48(2)72-4/h7-10,13-20,29-36,47-48,53-62,71-72H,5-6,11-12,21-28,37-46H2,1-4H3,(H,73,85)(H,74,86)(H,75,81)(H,76,82)(H,77,83)(H,78,84)/t47-,48-,55-,56-,59-,60-,61-,62-/m0/s1

IUPAC

(2S,2'S)-N,N'-(hexane-1,6-diyl)bis(N-((S)-1-amino-1-oxo-3,3-diphenylpropan-2-yl)-1-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)pyrrolidine-2-carboxamide)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat