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CAS 148182-34-7 tert-butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OH molecular structure lightbox
CAS RN: 148182-34-7

tert-butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS148182-34-7
  • Purity/Analytical Methods: >99.0%
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148182-34-7 / (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid

Standard CAS: 148182-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148182-34-7
Multi CAS
No
Molecular Formula
C44H59N5O8
Molecular Weight
786.000000
Exact Mass
785.436364
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C44H59N5O8/c1-28(2)23-33(46-41(53)36(26-31-19-13-9-14-20-31)49-43(56)57-44(5,6)7)38(50)47-35(25-30-17-11-8-12-18-30)40(52)45-34(24-29(3)4)39(51)48-37(42(54)55)27-32-21-15-10-16-22-32/h8-22,28-29,33-37H,23-27H2,1-7H3,(H,45,52)(H,46,53)(H,47,50)(H,48,51)(H,49,56)(H,54,55)/t33-,34-,35-,36-,37-/m0/s1
InChIKey
NGNZQSPFQJCBJQ-LTLCPEALSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
18
Fraction Csp3
0.45
Rotatable bonds
20
H-bond acceptors
7
H-bond donors
6
Molar refractivity
217.86
TPSA
192.03

LogP / Solubility

WLOGP
4.72
MLOGP
4.23
XLogP3
6.6
Consensus LogP
5.18
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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