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CAS 2002-44-0 H-PRO-LEU-GLY-NH2 molecular structure lightbox
CAS RN: 2002-44-0

H-PRO-LEU-GLY-NH2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2002-44-0
  • Purity/Analytical Methods: >99.0%
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2002-44-0 / (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Standard CAS: 2002-44-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2002-44-0
Multi CAS
No
Molecular Formula
C13H24N4O3
Molecular Weight
284.350000
Exact Mass
284.184841
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
InChIKey
NOOJLZTTWSNHOX-UWVGGRQHSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
74.61
TPSA
113.32

LogP / Solubility

WLOGP
-1.13
MLOGP
-0.98
XLogP3
-1.4
Consensus LogP
-1.17
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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