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CAS 64816-14-4 Val-Leu-Arg-p-nitroanilide molecular structure lightbox
CAS RN: 64816-14-4

Val-Leu-Arg-p-nitroanilide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS64816-14-4
  • Purity/Analytical Methods: >99.0%
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64816-14-4 / (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-4-methylpentanamide

Standard CAS: 64816-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64816-14-4
Multi CAS
Yes
Molecular Formula
C23H38N8O5
Molecular Weight
506.600000
Exact Mass
506.296516
InChI
InChI=1S/C23H38N8O5/c1-13(2)12-18(30-22(34)19(24)14(3)4)21(33)29-17(6-5-11-27-23(25)26)20(32)28-15-7-9-16(10-8-15)31(35)36/h7-10,13-14,17-19H,5-6,11-12,24H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)(H4,25,26,27)/t17-,18-,19+/m0/s1
InChIKey
ZNKZJCICBFSACN-GBESFXJTSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
6
Molar refractivity
137.77
TPSA
220.86

LogP / Solubility

WLOGP
0.59
MLOGP
0.55
XLogP3
1
Consensus LogP
0.71
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.39

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
5.5

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