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CAS 137565-28-7 L-Asp-L-Lys-L-Phe-L-Val-Gly-N-methyl-L-Leu-L-Nle-NH2 molecular structure lightbox
CAS RN: 137565-28-7

L-Asp-L-Lys-L-Phe-L-Val-Gly-N-methyl-L-Leu-L-Nle-NH2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS137565-28-7
  • Purity/Analytical Methods: >99.0%
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137565-28-7 / (3S)-3-amino-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

Standard CAS: 137565-28-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
137565-28-7
Multi CAS
No
Molecular Formula
C39H65N9O9
Molecular Weight
804.000000
Exact Mass
803.490525
SMILES
CCCC[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C39H65N9O9/c1-7-8-16-27(34(42)52)44-38(56)30(19-23(2)3)48(6)31(49)22-43-39(57)33(24(4)5)47-37(55)29(20-25-14-10-9-11-15-25)46-36(54)28(17-12-13-18-40)45-35(53)26(41)21-32(50)51/h9-11,14-15,23-24,26-30,33H,7-8,12-13,16-22,40-41H2,1-6H3,(H2,42,52)(H,43,57)(H,44,56)(H,45,53)(H,46,54)(H,47,55)(H,50,51)/t26-,27-,28-,29-,30-,33-/m0/s1
InChIKey
FIBMQAYBIOYAKI-HLYNNXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
27
H-bond acceptors
10
H-bond donors
9
Molar refractivity
213.58
TPSA
298.24

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.44
XLogP3
-1.2
Consensus LogP
-0.74
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.04

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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