Chemical Compound

3-[[2-[[2-[[31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid

CAS Registry Number 123562-20-9
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3-[[2-[[2-[[31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid 结构式
Primary record

3-[[2-[[2-[[31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid

库存
5,444 克
纯度
98.8 %
CAS
123562-20-9

化合物标识与属性

CAS
123562-20-9
PubChem CID
76470547
SMILES
CCC(C)C(C(=NC(C(C)CC)C(=NC(CC1=CNC2=CC=CC=C21)C(=O)O)O)O)N=C(C(CC(=O)O)N=C(C(CC(C)C)N=C(C(CC3=CN=CN3)N=C(C4CSSCC(C(=NC(C(=NC5CSSCC(C(=NC(C(=NC(C(=NC(C(=N4)O)CC6=CC=CC=C6)O)CC7=CC=C(C=C7)O)O)C(C)C)O)N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C5O)CO)O)CO)O)CC8=CNC9=CC=CC=C98)O)CC(C)C)O)CC(=O)O)O)CCCCN)O)CCC(=O)O)O)O)CO)O)N)O)O)O)O
Canonical SMILES
CCC(C)C(N=C(O)C(CC(=O)O)N=C(O)C(CC(C)C)N=C(O)C(Cc1cnc[nH]1)N=C(O)C1CSSCC(N)C(O)=NC(CO)C(O)=NC2CSSCC(N=C(O)C(CCC(=O)O)N=C(O)C(CCCCN)N=C(O)C(CC(=O)O)N=C(O)C(CC(C)C)N=C(O)C(Cc3c[nH]c4ccccc34)N=C(O)C(CO)N=C(O)C(CO)N=C2O)C(O)=NC(C(C)C)C(O)=NC(Cc2ccc(O)cc2)C(O)=NC(Cc2ccccc2)C(O)=N1)C(O)=NC(C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)CC

名称与同义词

  • C115H160N26O32S4
  • 123562-20-9
  • 3-[[2-[[2-[[31-amino-7-(4-aminobutyl)-39-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,22,28-tris(hydroxymethyl)-42-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-13-isobutyl-45-isopropyl-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid