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Chemical structure of Aselacin C

GC48353

Aselacin C

Also known as (2R)-N-[(6R,9R,16S,17R)-6-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-17-methyl-2,5,8,11,15-pentaoxo-1-oxa-4,7,10,14-tetrazacycloheptadec-16-yl]-2-[[(10E,12E)-9-oxooctadeca-10,12-dienoyl]amino]pentanediamide

A cyclic pentapeptolide antagonist of ETA and ETB

ChemicalCAS156223-08-4MW907.1FormulaC46H66N8O11
CAS number
156223-08-4
Molecular weight
907.1
Formula
C46H66N8O11
InChIKey
ARKPSPWBJDFWAE-GFDFNCKZSA-N
Catalogue number
GC48353
Brand
GLPBIO
Computed properties PubChem CID 9876187 · XLogP 3 · TPSA 297 Ų · H-bond donors 9
XLogP
3
TPSA
297 Ų
H-bond donors
9
H-bond acceptors
11
Rotatable bonds
23
Heavy atoms
65

SMILES CCCCC/C=C/C=C/C(=O)CCCCCCCC(=O)N[C@H](CCC(=O)N)C(=O)N[C@H]1[C@H](OC(=O)CNC(=O)[C@H](NC(=O)[C@H](NC(=O)CCNC1=O)CC2=CNC3=CC=CC=C32)CO)C

Computed descriptors from PubChem (CID 9876187), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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