Chemical Compound

52-[[2-[[6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(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-carboxylic acid

CAS Registry Number 127869-51-6
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52-[[2-[[6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(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-carboxylic acid 结构式
Primary record

52-[[2-[[6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(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-carboxylic acid

库存
7,048 克
纯度
98.1 %
CAS
127869-51-6

化合物标识与属性

CAS
127869-51-6
PubChem CID
176447299
SMILES
CCC(C)C1C(=NCC(=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)CC(C)C)O)CCCCN)O)CC(C)C)O)O)CC2=CC=CC=C2)O)N=C(CN=C(C(CCCCN)N=C(C(CO)N=C(C(CC(C)C)N=C(CN)O)O)O)O)O)C(=O)O)O)O)CC(C)C)O)O)CO)O)CCSC)O)CO)O)O
Canonical SMILES
CCC(C)C1N=C(O)C(CCCNC(=N)N)N=C(O)C(CC(=O)O)N=C(O)C(CC(C)C)N=C(O)C(CCCCN)N=C(O)C(CC(C)C)N=C(O)CN=C(O)C(Cc2ccccc2)N=C(O)C(N=C(O)CN=C(O)C(CCCCN)N=C(O)C(CO)N=C(O)C(CC(C)C)N=C(O)CN)CSSCC(C(=O)O)N=C(O)CN=C(O)C(CC(C)C)N=C(O)CN=C(O)C(CO)N=C(O)C(CCSC)N=C(O)C(CO)N=C(O)CN=C1O

名称与同义词

  • C93H157N27O28S3
  • 127869-51-6
  • 52-[[2-[[6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31-(3-guanidinopropyl)-16,22-bis(hydroxymethyl)-10,37,43-triisobutyl-19-(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-carboxylic acid