Chemical Compound

(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2R)-3-phenyl-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}propanamido]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanoic acid

CAS Registry Number 177943-88-3
返回搜索 申请报价
(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2R)-3-phenyl-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}propanamido]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanoic acid 结构式
Primary record

(2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2R)-3-phenyl-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}propanamido]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanoic acid

库存
6,165 克
纯度
98.9 %
CAS
177943-88-3

化合物标识与属性

CAS
177943-88-3
PubChem CID
165712951
SMILES
C[C@H](C1C(=O)NC(CSSC[C@@H](C(=O)NC(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)O
Canonical SMILES
C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSCC(C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O

名称与同义词

  • Dotatate
  • DITA-TATE
  • EBC-27561
  • J3.079.423K
  • EN300-25037973
  • (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2R)-3-phenyl-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}propanamido]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanoic acid
  • 177943-88-3
  • N-[2-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-yl]acetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-[(1S,2R)-1-carboxy-2-hydroxypropyl]NH2
  • N-[4,7,10-Tri(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-[(1S,2R)-1-carboxy-2-hydroxypropyl]-NH2
  • N-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-L-Thr-OH
  • N-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-Thr-OH