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Chemical structure of CAP 3

GC43138

CAP 3

Also known as benzyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

CAP 3 is a cholic acid-peptide conjugate (CAP) with antibacterial activity

ChemicalCAS2292123-03-4MW967.3FormulaC52H82N6O11
CAS number
2292123-03-4
Molecular weight
967.3
Formula
C52H82N6O11
Solubility
DMF： 5mg/mL,DMSO： 10mg/mL,Ethanol： 10mg/mL,PBS (pH 7·2)： 3mg/mL
InChIKey
XOMVHDKAGAIFOU-ZJADFBSCSA-N
Catalogue number
GC43138
Brand
GLPBIO
Computed properties PubChem CID 155527129 · XLogP 6.5 · TPSA 271 Ų · H-bond donors 6
XLogP
6.5
TPSA
271 Ų
H-bond donors
6
H-bond acceptors
14
Rotatable bonds
25
Heavy atoms
69

SMILES C[C@H](CCC(=O)OCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)OC(=O)CNC(=O)[C@H](C(C)C)N)C)OC(=O)CNC(=O)[C@H](C(C)C)N)OC(=O)CNC(=O)[C@H](C(C)C)N)C

Computed descriptors from PubChem (CID 155527129), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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