Chemical Compound

J2.187.176A

J2.187.176A chemical structure
Primary Record

J2.187.176A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177516263
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)C4=C(C5=C(C(=C4C)C)OC(C5)(C)C)C)NC(=O)CNC(=O)CN6C/C=C/CCC(=O)N[C@H](C(=O)N[C@H](C6=O)C(C)C)CCC(=O)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](CCCN=C(N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)CNC(=O)CN1C/C=C/CCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C1=O)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC

Names & Synonyms

  • J2.187.176A
  • methyl (2S,3S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(3S,6S)-6-(2-carbamoylethyl)-2,5,8-trioxo-3-(propan-2-yl)-1,4,7-triazacyclotridec-11-en-1-yl]acetamido}acetamido)-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanamido]-4-[(triphenylmethyl)carbamoyl]butanamido]-4-methylpentanamido]propanamido]-3-methylpentanamido]-3-methylpentanoate
  • N-[[(3S)-2,5,8-Trioxo-3alpha-isopropyl-6alpha-(3-oxo-3-aminopropyl)-1,4,7-triaza-11-cyclotridecene-1-yl]acetyl]-Gly-omega-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl)-L-Arg-N5-trityl-L-Gln-L-Leu-L-Ala-L-Ile-L-Ile-OMe