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CAS 1140908-89-9 (alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-L-phenylalanine methyl ester molecular structure lightbox
CAS RN: 1140908-89-9

(alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-L-phenylalanine methyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1140908-89-9
  • Purity/Analytical Methods: >99.0%
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1140908-89-9 / methyl (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]-4-phenylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoate

(S)-Methyl 2-((S)-4-Methyl-2-((S)-2-(2-MorpholinoacetaMido)-4-phenylbutanaMido)pentanaMido)-3-phenylpropanoate | (alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-L-phenylalanine methyl ester | MFCD31692649

Standard CAS: 1140908-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1140908-89-9
Multi CAS
Yes
Molecular Formula
C32H44N4O6
Molecular Weight
580.700000
Exact Mass
580.326085
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CCC2=CC=CC=C2)NC(=O)CN3CCOCC3
InChI
InChI=1S/C32H44N4O6/c1-23(2)20-27(31(39)35-28(32(40)41-3)21-25-12-8-5-9-13-25)34-30(38)26(15-14-24-10-6-4-7-11-24)33-29(37)22-36-16-18-42-19-17-36/h4-13,23,26-28H,14-22H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)/t26-,27-,28-/m0/s1
InChIKey
YXDNWVZKBKEJEH-KCHLEUMXSA-N
Synonyms
(S)-Methyl 2-((S)-4-Methyl-2-((S)-2-(2-MorpholinoacetaMido)-4-phenylbutanaMido)pentanaMido)-3-phenylpropanoate (alphaS)-alpha-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-L-phenylalanine methyl ester MFCD31692649 C32H44N4O6 Carfilzomib Methoxide

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
3
Molar refractivity
159.43
TPSA
126.07

LogP / Solubility

WLOGP
1.87
MLOGP
1.69
XLogP3
3.9
Consensus LogP
2.49
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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