Chemical Compound

2-[[2-[[2-[[2-[[2-[[6-amino-2-[[52-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31,43-bis(3-guanidinopropyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-28-sec-butyl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-4-yl)propanoic acid

CAS Registry Number 124584-08-3
2-[[2-[[2-[[2-[[2-[[6-amino-2-[[52-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31,43-bis(3-guanidinopropyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-28-sec-butyl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-4-yl)propanoic acid 结构式
Primary record

2-[[2-[[2-[[2-[[2-[[6-amino-2-[[52-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31,43-bis(3-guanidinopropyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-28-sec-butyl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-4-yl)propanoic acid

库存
1,733 克
纯度
98.5 %
CAS
124584-08-3

化合物标识与属性

CAS
124584-08-3
PubChem CID
176450795
SMILES
CCC(C)C1C(=NC(C(=NC(C(=NC(C(=NC(C(=NCC(=NC(C(=NCC(=NC(CSSCC(C(=NC(C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N1)O)CCCNC(=N)N)O)CC(=O)O)O)CCSC)O)CCCCN)O)CCCNC(=N)N)O)O)CC2=CC=CC=C2)O)N=C(CN=C(C(CO)N=C(CN=C(C(CCC(=N)O)N=C(C(C(C)C)N=C(C(CCSC)N=C(C(CCCCN)N=C(C3CCCN3C(=O)C(CO)N)O)O)O)O)O)O)O)O)C(=NC(CCCCN)C(=NC(C(C)C)C(=NC(CC(C)C)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CC4=CN=CN4)C(=O)O)O)O)O)O)O)O)O)O)CC(C)C)O)O)CO)O)CO)O)CO)O)CO)O
Canonical SMILES
CCC(C)C1N=C(O)C(CCCNC(=N)N)N=C(O)C(CC(=O)O)N=C(O)C(CCSC)N=C(O)C(CCCCN)N=C(O)C(CCCNC(=N)N)N=C(O)CN=C(O)C(Cc2ccccc2)N=C(O)C(N=C(O)CN=C(O)C(CO)N=C(O)CN=C(O)C(CCC(=N)O)N=C(O)C(N=C(O)C(CCSC)N=C(O)C(CCCCN)N=C(O)C2CCCN2C(=O)C(N)CO)C(C)C)CSSCC(C(O)=NC(CCCCN)C(O)=NC(C(O)=NC(CC(C)C)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=NC(Cc2cnc[nH]2)C(=O)O)C(C)C)N=C(O)CN=C(O)C(CC(C)C)N=C(O)CN=C(O)C(CO)N=C(O)C(CO)N=C(O)C(CO)N=C(O)C(CO)N=C1O

名称与同义词

  • MFCD00133149
  • C143H244N50O42S4
  • 124584-08-3
  • 2-[[2-[[2-[[2-[[2-[[6-amino-2-[[52-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31,43-bis(3-guanidinopropyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-28-sec-butyl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-4-yl)propanoic acid