Chemical Compound

2-[4-[2-[[(2R)-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-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

CAS Registry Number 204318-14-9
返回搜索 申请报价
2-[4-[2-[[(2R)-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-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid 结构式
Primary record

2-[4-[2-[[(2R)-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-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-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
158782
SMILES
C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](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)[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](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O

名称与同义词

  • Edotreotide
  • DOTATOC
  • Edotreotida
  • edotreotidum
  • Edotreotide [USAN]
  • DOTA-TOC acetate
  • Lys(Ac)-Octreotide
  • SMT-487
  • Dota-(tyr3)-octreotide
  • N-Acetyl-Lys-Octreotide
  • DOTA-Tyr3-octreotide
  • DOTA-TOC
  • 204318-14-9
  • Acetyl-Lys5-octreotide
  • Edotreotide [USAN:INN]
  • SMT 487
  • AC1L4KLV
  • EDOTREOTIDE [MI]
  • [Lys(Ac)]5-Octreotide
  • RefChem:590586
  • EDOTREOTIDE [INN]
  • SMT487
  • U194AS08HZ
  • UNII-U194AS08HZ
  • Edotreotide trifluoroacetate
  • CHEMBL408350
  • DOTA-[TYR3]-OCTREOTIDE
  • DTXSID701021591
  • orb1306725
  • SCHEMBL1649285
  • (DOTA D-Phe1,Tyr3)octreotide
  • SCHEMBL19712197
  • Radiolabeled octreotide derivative
  • RZHKDBRREKOZEW-AAXZNHDCSA-N
  • DTXCID301506597
  • GLXC-21557
  • EX-A4065
  • C65H92N14O18S2
  • (DOTA(0)-Phe(1)-Tyr(3))octreotide
  • 204318-14-9 (free base)
  • BDBM50165171
  • CID158782
  • MFCD32666174
  • ACN-053278
  • AT43615
  • BAT-010135
  • BAT-014750
  • CID:158782
  • 173606-11-6
  • BP-43737
  • DA-70511
  • FE175690
  • C65-H92-N14-O18-S2
  • SID:134222984
  • HY-106033
  • CS-0024683
  • FT-0774776
  • NS00125197
  • A938534
  • C106246
  • Q908790
  • 2-[4-[2-[[(2R)-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-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
  • DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OL
  • DPhe-Cys-Phe-DTrp-Lys(Ac)-Thr-Cys-Thr-ol(Cys2&Cys7 bridge)
  • DOTA-D-Phe-Cys-Tyr-D-Trp-Lys-Thr-Cys-Thr(ol), cyclic disulfide
  • 2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((2R,3R)-1,3-dihydroxybutan-2-yl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
  • D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-N6-acetyl-L-lysyl-L-threonyl-N-[(1R, 2R)-2-hydroxy-1-(hydroxymethyl)propyl]-L-Cysteinamide cyclic (2-->7)-disulfide
  • L-CYSTEINAMIDE, N-((4,7,10-TRIS(CARBOXYMETNYL)-1,4,7,10-TETRAAZACYCLODEC-1-YL)ACETYL)-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CYCLIC(2->7)-DISULFIDE
  • L-Cysteinamide, N-((4,7,10-tris(carboxymetnyl)-1,4,7,10-tetraazacyclodec-1-yl)acetyl)-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic(2-7)-disulfide
  • N-((4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCOLDODEC-1-YL)ACETYL-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPROPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (2->7)-DISULFIDE
  • L-Cysteinamide, N-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (2-->7)-disulfide
  • L-Cysteinamide, N-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (27)-disulfide
  • N-((4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacycoldodec-1-yl)acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryprophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L cysteinamide cyclic (2-7)-disulfide
  • N-((4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacycoldodec-1-yl)acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryprophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide