Chemical Compound

(3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-15-benzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-3-methyl-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)-15-benzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-3-methyl-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)-15-benzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-3-methyl-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
57339805
SMILES
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)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)[C@@H](C)O)CCCCN)CC4=CNC5=CC=CC=C54
Canonical SMILES
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O

名称与同义词

  • CHEMBL3349593
  • BDBM84645
  • cyclo(Pro-Ala-Trp-Lys-Thr-Phe)
  • J670.009H
  • Cyclo[L-Pro-L-Ala-D-Trp-L-Lys-L-Thr-L-Phe-]
  • L-363,376
  • (3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-15-benzyl-12-[(1R)-1-hydroxyethyl]-6-[(1H-indol-3-yl)methyl]-3-methyl-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone