Chemical Compound

(3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-3,15-dibenzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-5,8,14-trimethyl-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone

(3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-3,15-dibenzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-5,8,14-trimethyl-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone 结构式
Primary record

(3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-3,15-dibenzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-5,8,14-trimethyl-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
24864621
SMILES
C[C@H]([C@H]1C(=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)N1)CCCCN)C)CC3=CNC4=CC=CC=C43)C)CC5=CC=CC=C5)CC6=CC=CC=C6)C)O
Canonical SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C1=O

名称与同义词

  • CHEMBL3342579
  • J3.431.411J
  • cyclo(-Pro-Phe-NMe-D-Trp-NMe-Lys-Thr-NMe-Phe-)
  • Cyclo(L-Pro-L-Phe-Nalpha-methyl-D-Trp-N2-methyl-L-Lys-L-Thr-N-methyl-L-Phe-)
  • (3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-3,15-dibenzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-5,8,14-trimethyl-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone