Chemical Compound

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

CAS Registry Number 102129-69-1
(3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-15-benzyl-12-[(1R)-1-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)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]-3-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone

库存
4,193 克
纯度
99.7 %
CAS
102129-69-1

化合物标识与属性

CAS
102129-69-1
PubChem CID
9875834
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)CC3=CNC4=CC=CC=C43)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)O
Canonical SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O

名称与同义词

  • CHEMBL3349592
  • cyclo(Pro-Tyr-D-Trp-Lys-Thr-Phe)
  • CYCLO(D-TRP-LYS-THR-PHE-PRO-TYR)
  • CID9875834
  • CID 9832396
  • J325.588C
  • Cyclo(L-Pro-L-Tyr-D-Trp-L-Lys-L-Thr-L-Phe-)
  • 102129-69-1
  • (3S,6R,9S,12S,15S,20aS)-9-(4-aminobutyl)-15-benzyl-12-[(1R)-1-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]-6-[(1H-indol-3-yl)methyl]-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone
  • (3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone