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CAS 119670-30-3 Z-LEU-VAL-GLY-DIAZOMETHYLKETONE molecular structure lightbox
CAS RN: 119670-30-3

Z-LEU-VAL-GLY-DIAZOMETHYLKETONE

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Batchno.20251012 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS119670-30-3
  • Purity/Analytical Methods: >99.0%
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119670-30-3 / benzyl N-[(2S)-1-[[(2S)-2-[(3-diazo-2-oxopropyl)amino]-3-methylbutanoyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Z-LVG-diazomethane | N-Benzyloxycarbonyl-leucyl-valyl-glycine diazomethane | RefChem:162975

Standard CAS: 119670-30-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119670-30-3
Multi CAS
Yes
Molecular Formula
C22H31N5O5
Molecular Weight
445.500000
Exact Mass
445.232519
SMILES
CC(C)C[C@@H](C(=O)NC(=O)[C@H](C(C)C)NCC(=O)C=[N+]=[N-])NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C22H31N5O5/c1-14(2)10-18(26-22(31)32-13-16-8-6-5-7-9-16)20(29)27-21(30)19(15(3)4)24-11-17(28)12-25-23/h5-9,12,14-15,18-19,24H,10-11,13H2,1-4H3,(H,26,31)(H,27,29,30)/t18-,19-/m0/s1
InChIKey
ZLDBPOCJCXPVND-OALUTQOASA-N
Synonyms
Z-LVG-diazomethane N-Benzyloxycarbonyl-leucyl-valyl-glycine diazomethane RefChem:162975 Z LVG CHN2 Z-Lvg-chn2

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
117.47
TPSA
150

LogP / Solubility

WLOGP
1.45
MLOGP
1.31
XLogP3
3
Consensus LogP
1.92
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-4.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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