Chemical Compound

5-[[2-[[2-[[1-[[2-[[2-[[5-amino-1-[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoic acid

CAS Registry Number 25696-21-3
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5-[[2-[[2-[[1-[[2-[[2-[[5-amino-1-[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoic acid 结构式
Primary record

5-[[2-[[2-[[1-[[2-[[2-[[5-amino-1-[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoic acid

库存
5,144 克
纯度
98.5 %
CAS
25696-21-3

化合物标识与属性

CAS
25696-21-3
PubChem CID
176451138
SMILES
CC(C)C(C(=NCC(=O)O)O)N=C(C1CCCN1C(=O)C(CCCCN)N=C(CN=C(C(CC2=CNC3=CC=CC=C32)N=C(C(CCCNC(=N)N)N=C(C(CC4=CC=CC=C4)N=C(C(CC5=CN=CN5)N=C(C(CCC(=O)O)N=C(C(CCSC)N=C(C(CO)N=C(C(CC6=CC=C(C=C6)O)N=C(C(CO)N)O)O)O)O)O)O)O)O)O)O)O
Canonical SMILES
CSCCC(N=C(O)C(CO)N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N)CO)C(O)=NC(CCC(=O)O)C(O)=NC(Cc1cnc[nH]1)C(O)=NC(Cc1ccccc1)C(O)=NC(CCCNC(=N)N)C(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NCC(O)=NC(CCCCN)C(=O)N1CCCC1C(O)=NC(C(O)=NCC(=O)O)C(C)C

名称与同义词

  • C77H109N21O20S
  • MFCD00133031
  • 25696-21-3
  • 5-[[2-[[2-[[1-[[2-[[2-[[5-amino-1-[2-[[1-(carboxymethylcarbamoyl)-2-methyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]pentyl]amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-4-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-oxo-pentanoic acid