Analyte Name

(3S)-4-(((2S)-1-amino-1-oxo-3-phenylpropan-2-yl)-methylamino)-3-(((2S)-2-(((2S)-3-(1H-indol-3-yl)-2-((2-methylpropan-2-yl)oxycarbonylamino)propanoyl)amino)-6-((2-methylphenyl)carbamoylamino)hexanoyl)amino)-4-oxobutanoic acid

CAS Number

130408-77-4

Molecular Formula

C44 H56 N8 O9

Molecular Weight

840.964

Accurate Mass

840.417

SMILES

CN([C@@H](Cc1ccccc1)C(=O)N)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)Nc2ccccc2C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)OC(C)(C)C

InChI

InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34-,35-,36-/m0/s1

IUPAC

(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat