[email protected]
CAS 211439-12-2 H-ASN-ALA-PRO-VAL-SER-ILE-PRO-GLN-OH molecular structure lightbox
CAS RN: 211439-12-2

H-ASN-ALA-PRO-VAL-SER-ILE-PRO-GLN-OH

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 0.5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 0.5mg In stock Inquiry
Batchno.20260402 1mg In stock Inquiry
Batchno.20251107 2.5mg In stock Inquiry
  • Product code: starshine_CAS211439-12-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

211439-12-2 / (2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Standard CAS: 211439-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211439-12-2
Multi CAS
No
Molecular Formula
C36H60N10O12
Molecular Weight
824.900000
Exact Mass
824.439217
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1
InChIKey
DWLTUUXCVGVRAV-XWRHUKJGSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Fraction Csp3
0.72
Rotatable bonds
22
H-bond acceptors
12
H-bond donors
10
Molar refractivity
204.03
TPSA
355.85

LogP / Solubility

WLOGP
-4.34
MLOGP
-3.74
XLogP3
-5.6
Consensus LogP
-4.56
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-10.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

Customers Also Viewed

Get In Touch

Contact Us