Chemical Compound

J1.705.845B

J1.705.845B chemical structure
Primary Record

J1.705.845B

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177565430
SMILES
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N1)C(C)C)CCCCN)CC(C)C)CCCCN)C(C)C)CC3=CC=C(C=C3)O)CC(C)C)CCCCN)C(C)C)CCCCN
Canonical SMILES
CC(C)C[C@@H]1NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC1=O

Names & Synonyms

  • J1.705.845B
  • (3S,6S,9S,12S,15S,24S,27S,30S,33S,36S,39R,44aS)-6,12,27,33-tetrakis(4-aminobutyl)-39-[(4-hydroxyphenyl)methyl]-9,24,36-tris(2-methylpropyl)-3,15,30-tris(propan-2-yl)-tetratetracontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecaazacyclodotetracontane-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecone
  • Cyclo(L-Val-Gly-Gly-L-Leu-L-Lys-L-Val-L-Lys-L-Leu-D-Tyr-L-Pro-L-Val-L-Lys-L-Leu-L-Lys-)