(alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S,3S)-4-chloro-3-hydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl]-L-phenylalaninamide

Analyte Name

(alphaS)-alpha-((2-(4-Morpholinyl)acetyl)amino)benzenebutanoyl-L-leucyl-N-((1S,3S)-4-chloro-3-hydroxy-3-methyl-1-(2-methylpropyl)-2-oxobutyl)-L-phenylalaninamide

CAS Number

1541171-67-8

Molecular Formula

C40 H58 Cl N5 O7

Molecular Weight

756.371

Accurate Mass

755.402

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)C(C)(O)CCl

InChI

InChI=1S/C40H58ClN5O7/c1-27(2)22-32(36(48)40(5,52)26-41)43-39(51)34(24-30-14-10-7-11-15-30)45-38(50)33(23-28(3)4)44-37(49)31(17-16-29-12-8-6-9-13-29)42-35(47)25-46-18-20-53-21-19-46/h6-15,27-28,31-34,52H,16-26H2,1-5H3,(H,42,47)(H,43,51)(H,44,49)(H,45,50)/t31-,32-,33-,34-,40?/m0/s1

IUPAC

(2S)-N-[(2S)-1-[[(4S)-1-chloro-2-hydroxy-2,6-dimethyl-3-oxoheptan-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat