Chemical Compound

2-[2-[[1-[2-[[52-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-19,69-dibenzyl-28-butan-2-yl-13,75,96-tris(3-carbamimidamidopropyl)-99-(carboxymethyl)-2a,60,87-tris(1-hydroxyethyl)-4,37,49,81-tetrakis(hydroxymethyl)-16,25,72,90-tetrakis[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-66-(2-methylpropyl)-1a,3,4a,6,10a,12,15,17a,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontaoxo-12a,13a,19a,20a,54,55-hexathia-a,2,3a,5,9a,11,14,16a,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontazapentacyclo[55.53.7.446,78.07,11.0105,109]henicosahectane-15a-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]butanedioic acid

CAS Registry Number 713544-47-9
返回搜索 申请报价
2-[2-[[1-[2-[[52-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-19,69-dibenzyl-28-butan-2-yl-13,75,96-tris(3-carbamimidamidopropyl)-99-(carboxymethyl)-2a,60,87-tris(1-hydroxyethyl)-4,37,49,81-tetrakis(hydroxymethyl)-16,25,72,90-tetrakis[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-66-(2-methylpropyl)-1a,3,4a,6,10a,12,15,17a,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontaoxo-12a,13a,19a,20a,54,55-hexathia-a,2,3a,5,9a,11,14,16a,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontazapentacyclo[55.53.7.446,78.07,11.0105,109]henicosahectane-15a-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]butanedioic acid 结构式
Primary record

2-[2-[[1-[2-[[52-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-19,69-dibenzyl-28-butan-2-yl-13,75,96-tris(3-carbamimidamidopropyl)-99-(carboxymethyl)-2a,60,87-tris(1-hydroxyethyl)-4,37,49,81-tetrakis(hydroxymethyl)-16,25,72,90-tetrakis[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-66-(2-methylpropyl)-1a,3,4a,6,10a,12,15,17a,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontaoxo-12a,13a,19a,20a,54,55-hexathia-a,2,3a,5,9a,11,14,16a,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontazapentacyclo[55.53.7.446,78.07,11.0105,109]henicosahectane-15a-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]butanedioic acid

库存
9,373 克
纯度
98.4 %
CAS
713544-47-9

化合物标识与属性

CAS
713544-47-9
PubChem CID
90488973
SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC3CSSCC(NC(=O)C4CSSCC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N4)C(C)O)CC(C)C)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)CCCNC(=N)N)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C7CCCN7C3=O)C(C)O)CC(=O)O)CCCNC(=N)N)CC8=CC=C(C=C8)O)C(C)O)CO)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCCN)CO)CC(=O)N)CO)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)CN)C(=O)NC(C(C)O)C(=O)N9CCCC9C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)CO)CCCNC(=N)N)CC1=CC=C(C=C1)O)CC1=CC=CC=C1)CC1=CNC2=CC=CC=C21)CC1=CC=C(C=C1)O
Canonical SMILES
CCC(C)C1NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C2CSSCC3NC(=O)C(CO)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(Cc4ccc(O)cc4)NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C4CCCN4C(=O)C(CSSCC(C(=O)NC(C(=O)N4CCCC4C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)C(C)O)NC(=O)C(CSSCC(NC(=O)C(C)NC(=O)C(NC(=O)CN)C(C)O)C(=O)NC(CO)C(=O)N2)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCNC(=N)N)NC3=O)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC1=O

名称与同义词

  • APETx2
  • APETx2 TFA
  • 713544-47-9
  • HEHYILNFEUDIQC-UHFFFAOYSA-N
  • APE-4472-S
  • NDB54447
  • AKOS024458355
  • BAT-010318
  • DA-70987
  • J3.795.608B
  • A944154
  • 2-[2-[[1-[2-[[52-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-34-(4-aminobutyl)-40-(2-amino-2-oxoethyl)-19,69-dibenzyl-28-butan-2-yl-13,75,96-tris(3-carbamimidamidopropyl)-99-(carboxymethyl)-2a,60,87-tris(1-hydroxyethyl)-4,37,49,81-tetrakis(hydroxymethyl)-16,25,72,90-tetrakis[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-66-(2-methylpropyl)-1a,3,4a,6,10a,12,15,17a,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontaoxo-12a,13a,19a,20a,54,55-hexathia-a,2,3a,5,9a,11,14,16a,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97-tetratriacontazapentacyclo[55.53.7.446,78.07,11.0105,109]henicosahectane-15a-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]butanedioic acid
  • H-Gly-DL-xiThr-DL-Ala-DL-Cys(1)-DL-Ser-DL-Cys(2)-Gly-DL-Asn-DL-Ser-DL-Lys-Gly-DL-xiIle-DL-Tyr-DL-Trp-DL-Phe-DL-Tyr-DL-Arg-DL-Pro-DL-Ser-DL-Cys(3)-DL-Pro-DL-xiThr-DL-Asp-DL-Arg-Gly-DL-Tyr-DL-xiThr-Gly-DL-Ser-DL-Cys(2)-DL-Arg-DL-Tyr-DL-Phe-DL-Leu-Gly-DL-xiThr-DL-Cys(1)-DL-Cys(3)-DL-xiThr-DL-Pro-DL-Ala-DL-Asp-OH
  • 2-(2-{[1-(2-{[34-(4-aminobutyl)-52-{2-[2-(2-aminoacetamido)-3-hydroxybutanamido]propanamido}-19,69-dibenzyl-13,75,96-tris(3-carbamimidamidopropyl)-40-(carbamoylmethyl)-99-(carboxymethyl)-60,87,102-tris(1-hydroxyethyl)-4,37,49,81-tetrakis(hydroxymethyl)-16,25,72,90-tetrakis[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-66-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104,110,117-tetratriacontaoxo-28-(sec-butyl)-54,55,112,113,119,120-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103,109,116-tetratriacontaazapentacyclo[55.53.7.4??,??.0?,(1)(1).0(1)??,(1)??]121n-115-yl]formamido}-3-hydroxybutanoyl)pyrrolidin-2-yl]formamido}propanamido)butanedioic acid
  • 2-(2-{[1-(2-{[34-(4-aminobutyl)-52-{2-[2-(2-aminoacetamido)-3-hydroxybutanamido]propanamido}-19,69-dibenzyl-13,75,96-tris(3-carbamimidamidopropyl)-40-(carbamoylmethyl)-99-(carboxymethyl)-60,87,102-tris(1-hydroxyethyl)-4,37,49,81-tetrakis(hydroxymethyl)-16,25,72,90-tetrakis[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-66-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104,110,117-tetratriacontaoxo-28-(sec-butyl)-54,55,112,113,119,120-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103,109,116-tetratriacontaazapentacyclo[55.53.7.446,78.07,11.0105,109]121n-115-yl]formamido}-3-hydroxybutanoyl)pyrrolidin-2-yl]formamido}propanamido)butanedioic acid
  • 2-(2-{[1-(2-{[34-(4-aminobutyl)-52-{2-[2-(2-aminoacetamido)-3-hydroxybutanamido]propanamido}-19,69-dibenzyl-28-(butan-2-yl)-13,75,96-tris(3-carbamimidamidopropyl)-40-(carbamoylmethyl)-99-(carboxymethyl)-60,87,102-tris(1-hydroxyethyl)-4,37,49,81-tetrakis(hydroxymethyl)-16,25,72,90-tetrakis[(4-hydroxyphenyl)methyl]-22-[(1H-indol-3-yl)methyl]-66-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104,110,117-tetratriacontaoxo-54,55,112,113,119,120-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,58,61,64,67,70,73,76,79,82,85,88,91,94,97,100,103,109,116-tetratriacontaazapentacyclo[55.53.7.446,78.07,11.0105,109]121n-115-yl]formamido}-3-hydroxybutanoyl)pyrrolidin-2-yl]formamido}propanamido)butanedioic acid