Chemical Compound

J2.084.868E

J2.084.868E chemical structure
Primary Record

J2.084.868E

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
16152218
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)C(C)C)C(C)C)CO)CCCCN)CCC(=O)N)CC(C)C)C(=O)O)N)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSCNC(=O)C)NC(=O)C)O
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CSCNC(C)=O)NC(C)=O)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSCNC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC1=O)C(=O)O)[C@@H](C)O)[C@@H](C)O

Names & Synonyms

  • J2.084.868E
  • (3S,6S,9S,15S,18S,21R,26R,29S,34aS)-26-[(2S)-2-[(2R)-2-amino-3-{[(2R)-2-carboxy-2-[(2S,3R)-2-[(2R)-2-[(2S,3R)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-2-[(2R)-2-acetamido-3-[(acetamidomethyl)sulfanyl]propanamido]-3-methylbutanamido]propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]acetamido}acetamido)-3-hydroxybutanamido]-3-[(acetamidomethyl)sulfanyl]propanamido]-3-hydroxybutanamido]ethyl]disulfanyl}propanamido]-4-carboxybutanamido]-9-(4-aminobutyl)-15-(2-carbamoylethyl)-6-(hydroxymethyl)-18-(2-methylpropyl)-1,4,7,10,13,16,19,27,30-nonaoxo-3,29-bis(propan-2-yl)-dotriacontahydropyrrolo[2,1-y]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-21-carboxylic acid
  • N-Acetyl-S-(acetylaminomethyl)-L-Cys-L-Val-L-Asp-L-Met-L-Ser-Gly-Gly-L-Thr-S-(acetylaminomethyl)-L-Cys-L-Thr-L-Cys(1)-OH=L-Cys(1)-L-Glu-L-Cys(2)-L-Val-L-Pro-L-Val-L-Ser-L-Lys-Gly-L-Gln-L-Leu-L-Cys(2)-OH