Chemical Compound

(4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-amino-3-(4-amino-3-iodophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-16-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

CAS Registry Number 846569-60-6
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(4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-amino-3-(4-amino-3-iodophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-16-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide 结构式
Primary record

(4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-amino-3-(4-amino-3-iodophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-16-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

库存
4,945 克
纯度
99.3 %
CAS
846569-60-6

化合物标识与属性

CAS
846569-60-6
PubChem CID
11586258
SMILES
C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC(=C(C=C4)O)I)NC(=O)[C@@H](CC5=CC(=C(C=C5)N)I)N)O
Canonical SMILES
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)c(I)c2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc(N)c(I)c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O

名称与同义词

  • AP102
  • UNII-EW91FWW4HC
  • EW91FWW4HC
  • AP-102
  • RefChem:113281
  • SCHEMBL29352322
  • HY-P2434
  • 846569-60-6
  • CID11586258
  • CID 11586258
  • DA-61154
  • CS-0134226
  • A961344
  • H-(4-Amino-3-iodo)-D-Phe-c(Cys-(3-iodo)-Tyr-D-Trp-Lys-Val-Cys)-Thr-NH2
  • (4-amino-3-iodo)-D-Phe-c(Cys-(3-iodo)-Tyr-D-Trp-Lys-Val-Cys)-Thr-NH2
  • L-Threoninamide, 4-amino-3-iodo-D-phenylalanyl-L-cysteinyl-3-iodo-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2->7)-disulfide
  • (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-(4-amino-3-iodophenyl)propanamido)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-10-(4-aminobutyl)-16-(4-hydroxy-3-iodobenzyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
  • (4R,7S,10S,13R,16S,19R)-19-[[(2R)-2-amino-3-(4-amino-3-iodophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-16-[(4-hydroxy-3-iodophenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
  • (4-amino-3-iodo)phenylalanyl-cyclo(cysteinyl-(3-iodo)tyrosyl-tryptophyl-lysyl-valyl-cysteinyl)threoninamide