Chemical Compound

3-[(3S,6S,9S,12S,15S,20aR)-12-(4-aminobutyl)-6-(carboxymethyl)-3-{4-[(4-fluorophenyl)formamido]butyl}-15-(hydroxymethyl)-1,4,7,10,13,16-hexaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecan-9-yl]propanoic acid

3-[(3S,6S,9S,12S,15S,20aR)-12-(4-aminobutyl)-6-(carboxymethyl)-3-{4-[(4-fluorophenyl)formamido]butyl}-15-(hydroxymethyl)-1,4,7,10,13,16-hexaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecan-9-yl]propanoic acid 结构式
Primary record

3-[(3S,6S,9S,12S,15S,20aR)-12-(4-aminobutyl)-6-(carboxymethyl)-3-{4-[(4-fluorophenyl)formamido]butyl}-15-(hydroxymethyl)-1,4,7,10,13,16-hexaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecan-9-yl]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101907871
SMILES
C1C[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)N2C1)CO)CCCCN)CCC(=O)O)CC(=O)O)CCCCNC(=O)C3=CC=C(C=C3)F
Canonical SMILES
NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c2ccc(F)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC1=O

名称与同义词

  • J3.385.032H
  • N6-(4-Fluorobenzoyl)cyclo(Lys-Asp-Glu-Lys-Ser-D-Pro-)
  • 3-[(3S,6S,9S,12S,15S,20aR)-12-(4-aminobutyl)-6-(carboxymethyl)-3-{4-[(4-fluorophenyl)formamido]butyl}-15-(hydroxymethyl)-1,4,7,10,13,16-hexaoxo-icosahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecan-9-yl]propanoic acid