Chemical Compound

J1.122.877A

J1.122.877A chemical structure
Primary Record

J1.122.877A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177467153
SMILES
C1CCC(CC1)C[C@@H]2C(=O)N[C@H](C(=O)NC(C(=O)NCCCC[C@@H](C(=O)N3CCC[C@H]3C(=O)N2)NC(=O)[C@H](CC4=CC=CC=C4)N)CCCN=C(N)N)CC5=CNC6=CC=CC=C65
Canonical SMILES
NC(N)=NCCCC1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CCCCNC1=O

Names & Synonyms

  • J1.122.877A
  • J1.122.878J
  • N2-L-Phe-Cyclo(L-Lys*-L-Pro-3-cyclohexyl-D-Ala-L-Trp-D-Arg-)
  • N2-L-Phe-Cyclo(L-Lys*-L-Pro-3-cyclohexyl-D-Ala-L-Trp-L-Arg-)
  • 3-Cyclohexylcyclo[D-Ala-L-Trp-L-Arg-Nalpha-L-phenylalanyl-L-Lys*-L-Pro-]
  • (2S)-N-[(3R,6S,9R,16S,21aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-[(1H-indol-3-yl)methyl]-1,4,7,10,17-pentaoxo-icosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclononadecan-16-yl]-2-amino-3-phenylpropanamide
  • (2S)-N-[(3R,6S,9S,16S,21aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-[(1H-indol-3-yl)methyl]-1,4,7,10,17-pentaoxo-icosahydro-1H-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclononadecan-16-yl]-2-amino-3-phenylpropanamide