Chemical Compound

2-[63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-33-isobutyl-48-methyl-30-(2-methylsulfanylethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl]acetic acid

CAS Registry Number 107452-89-1
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2-[63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-33-isobutyl-48-methyl-30-(2-methylsulfanylethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl]acetic acid 结构式
Primary record

2-[63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-33-isobutyl-48-methyl-30-(2-methylsulfanylethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl]acetic acid

库存
6,366 克
纯度
99.2 %
CAS
107452-89-1

化合物标识与属性

CAS
107452-89-1
PubChem CID
56947132
SMILES
CC1C(=NC(C(=NC2CSSCC3C(=NC(C(=NC(C(=NCC(=NC(C(=NC(CSSCC(C(=NC(CSSCC(C(=NC(C(=NCC(=NC(C(=NCC(=N1)O)O)CCCCN)O)O)CCCCN)O)N)C(=NC(C(=NCC(=NC(C(=N3)O)CO)O)O)C(C)O)O)O)N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C(C(N=C2O)CO)O)CCCNC(=N)N)O)CC(C)C)O)CCSC)O)CC4=CC=C(C=C4)O)O)CC(=O)O)O)C(=N)O)O)CCCCN)O)O)CO)O)CCCNC(=N)N)O)O)CCCCN)O
Canonical SMILES
CSCCC1N=C(O)C(CC(C)C)N=C(O)C(CCCNC(=N)N)N=C(O)C(CO)N=C(O)C2CSSCC3N=C(O)C(CO)N=C(O)CN=C(O)C(C(C)O)N=C(O)C(CSSCC(N)C(O)=NC(CCCCN)C(O)=NCC(O)=NC(CCCCN)C(O)=NCC(O)=NC(C)C(O)=NC(CCCCN)C(O)=N2)N=C(O)C(CSSCC(C(=N)O)N=C(O)C(CCCCN)N=C(O)CN=C(O)C(CO)N=C(O)C(CCCNC(=N)N)N=C3O)N=C(O)C(CC(=O)O)N=C(O)C(Cc2ccc(O)cc2)N=C1O

名称与同义词

  • MFCD00145036
  • C102H172N36O32S7
  • 107452-89-1
  • 2-[63-amino-13,45,54,60-tetrakis(4-aminobutyl)-16-carbamoyl-4,36-bis(3-guanidinopropyl)-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-33-isobutyl-48-methyl-30-(2-methylsulfanylethyl)-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl]acetic acid