Chemical Compound

2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid

CAS Registry Number 204318-14-9
返回搜索 申请报价
2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid 结构式
Primary record

2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid

库存
2,061 克
纯度
99.8 %
CAS
204318-14-9

化合物标识与属性

CAS
204318-14-9
PubChem CID
145994622
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](CO)[C@@H](C)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](CO)[C@@H](C)O)NC1=O

名称与同义词

  • Edotreotide
  • DOTATOC
  • DOTA-TATE
  • [DOTA0,Tyr3]octreotide
  • J1.128.806E
  • DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OL (DISULFIDE BRIDGE: 2-7)
  • (2R,3R)-2-[N-[4,7,10-Tris(2-oxo-2-hydroxyethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Thr-L-Cys(1)-amino]-1,3-butanediol
  • 2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid
  • 204318-14-9
  • 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)-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]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)-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-NH2
  • N-[4,7,10-Tris(2-oxo-2-hydroxyethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-L-Cys(1)-Tyr-D-Trp-Lys-Thr-L-Cys(1)-[(1R,2R)-1-(hydroxymethyl)-2-hydroxypropyl]NH2
  • N-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane-1-ylacetyl]-D-Phe-Cys(1)-Tyr-D-Trp-Lys-Thr-Cys(1)-N-[(2R,3R)-1,3-dihydroxybutane-2-yl]-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)-[(1R,2R)-1-(hydroxymethyl)-2-hydroxypropyl]-NH2