Chemical Compound

J1.112.593J

J1.112.593J chemical structure
Primary Record

J1.112.593J

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177581041
SMILES
CC1([C@H](C(=O)NCC(=O)NC(C(=O)NC(CSS1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)CC2=CC(=CC=C2)Cl)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C
Canonical SMILES
CC1(C)SSCC(C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)C(Cc2cccc(Cl)c2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1

Names & Synonyms

  • J1.112.593J
  • L-Tyr-D-Pen(1)-Gly-3-chloro-L-Phe-L-Cys(1)-L-Arg-Gly-OH
  • 2-[(2S)-2-{[(4R,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-7-[(3-chlorophenyl)methyl]-14,14-dimethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-4-yl]formamido}-5-carbamimidamidopentanamido]acetic acid