BQ123   Click here for help

GtoPdb Ligand ID: 997

Synonyms: BQ 123 | BQ-123
Comment: A cyclic peptide
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CC(CC1NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)C(C)C)C
Isomeric SMILES CC(C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)C(C)C)C
InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
InChI Key VYCMAAOURFJIHD-PJNXIOHISA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Synonyms Click here for help
BQ 123 | BQ-123
Database Links Click here for help
CAS Registry No. 136553-81-6
ChEMBL Ligand CHEMBL314691
GtoPdb PubChem SID 135652048
PubChem CID 443289
Search Google for chemical match using the InChIKey VYCMAAOURFJIHD-PJNXIOHISA-N
Search Google for chemicals with the same backbone VYCMAAOURFJIHD
Search UniChem for chemical match using the InChIKey VYCMAAOURFJIHD-PJNXIOHISA-N
Search UniChem for chemicals with the same backbone VYCMAAOURFJIHD
Wikipedia BQ-123