Chemical Compound

J3.211.088F

J3.211.088F chemical structure
Primary Record

J3.211.088F

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177489762
SMILES
C[C@H]1C(=O)N[C@@H]2CSCC(=O)N(C[C@@H](NC2=O)CCCNC(=N)N)C(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CSSCC(C(=O)N[C@H](C(=O)N1)CC3=CNC=N3)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N)CC6=CC=CC=C6)C)CC(=O)N)CC7=CNC8=CC=CC=C87
Canonical SMILES
C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C(NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)C(Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC1=O

Names & Synonyms

  • J3.211.088F
  • (2S)-2-amino-N-[(2S,5S,8S,11S,14R,19R,22S,25S,28S,34S)-11-benzyl-34-(3-carbamimidamidopropyl)-14-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}-5-(carbamoylmethyl)-22-[(1H-imidazol-4-yl)methyl]-2-[(1H-indol-3-yl)methyl]-8,25-dimethyl-3,6,9,12,20,23,26,32,36-nonaoxo-16,17,30-trithia-1,4,7,10,13,21,24,27,35-nonaazabicyclo[26.4.4]hexatriacontan-19-yl]-3-(4-hydroxyphenyl)propanamide
  • Nalpha-[(S)-2-[(6S,9S)-6-[[L-Tyr-L-Cys(1)-L-His-L-Ala-]Amino]-9-(3-guanidinopropyl)-2,7-dioxo-1,8-diaza-4-thiacyclodecane-1-yl]-3-(1H-indole-3-yl)propanoyl]-L-Asn-L-Ala-L-Phe-Cys(1)-L-Tyr-NH2