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CAS 200427-88-9 Glycine, glycylglycyl-L-phenylalanyl- molecular structure lightbox
CAS RN: 200427-88-9

Glycine, glycylglycyl-L-phenylalanyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS200427-88-9
  • Purity/Analytical Methods: >99.0%
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200427-88-9 / 2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid

Standard CAS: 200427-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200427-88-9
Multi CAS
No
Molecular Formula
C15H20N4O5
Molecular Weight
336.340000
Exact Mass
336.143370
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)CN
InChI
InChI=1S/C15H20N4O5/c16-7-12(20)17-8-13(21)19-11(15(24)18-9-14(22)23)6-10-4-2-1-3-5-10/h1-5,11H,6-9,16H2,(H,17,20)(H,18,24)(H,19,21)(H,22,23)/t11-/m0/s1
InChIKey
HXUVTXPOZRFMOY-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
5
Molar refractivity
84.79
TPSA
150.62

LogP / Solubility

WLOGP
-2.01
MLOGP
-1.75
XLogP3
-3.7
Consensus LogP
-2.49
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.26
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)
-6.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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