Chemical Compound

4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-propionylamino}-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid (2-morpholin-4-yl-ethyl)-amide; Hydrate

4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-propionylamino}-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid (2-morpholin-4-yl-ethyl)-amide; Hydrate 结构式
Primary record

4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-propionylamino}-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid (2-morpholin-4-yl-ethyl)-amide; Hydrate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44278756
SMILES
C1CCC(CC1)C[C@@H](C(C(C(=O)NCCN2CCOCC2)(F)F)O)NC(=O)[C@H](CC3=CSC(=N3)N)NC(=O)[C@H](CC4=CC=CC=C4)NS(=O)(=O)N5CCOCC5
Canonical SMILES
Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cs1

名称与同义词

  • CHEMBL31889
  • BDBM50008144
  • J447.873H
  • (4S)-4-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[(2S)-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamido]propanamido]-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-[2-(morpholin-4-yl)ethyl]pentanamide
  • (4S)-4-[N-Morpholinosulfonyl-L-Phe-3-(2-aminothiazol-4-yl)-L-Ala-amino]-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-morpholinoethyl)pentanamide
  • 4-{3-(2-Amino-thiazol-4-yl)-2-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-propionylamino}-5-cyclohexyl-2,2-difluoro-3-hydroxy-pentanoic acid (2-morpholin-4-yl-ethyl)-amide; Hydrate