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CAS 23815-89-6 H-ARG-PRO-PRO-GLY-PHE-OH TRIFLUOROACETATE SALT molecular structure lightbox
CAS RN: 23815-89-6

H-ARG-PRO-PRO-GLY-PHE-OH TRIFLUOROACETATE SALT

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250112 10mg In stock Shanghai Inquiry
Batchno.20260428 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS23815-89-6
  • Purity/Analytical Methods: >99.0%
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23815-89-6 / (2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid

Standard CAS: 23815-89-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23815-89-6
Multi CAS
No
Molecular Formula
C27H40N8O6
Molecular Weight
572.700000
Exact Mass
572.307081
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C27H40N8O6/c28-18(9-4-12-31-27(29)30)24(38)35-14-6-11-21(35)25(39)34-13-5-10-20(34)23(37)32-16-22(36)33-19(26(40)41)15-17-7-2-1-3-8-17/h1-3,7-8,18-21H,4-6,9-16,28H2,(H,32,37)(H,33,36)(H,40,41)(H4,29,30,31)/t18-,19-,20-,21-/m0/s1
InChIKey
USSUMSBPLJWFSZ-TUFLPTIASA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
6
Molar refractivity
150.08
TPSA
226.54

LogP / Solubility

WLOGP
-1.72
MLOGP
-1.47
XLogP3
-3.4
Consensus LogP
-2.2
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

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)
-7.44

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
6

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