Chemical Compound

3-[26-(4-aminobutyl)-12-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-17-[2-(5-carbamimidamido-2-{5-carbamimidamido-2-[(2,4,6-trifluorophenyl)formamido]pentanamido}pentanamido)-3-(naphthalen-2-yl)propanamido]-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-29-yl]propanoic acid

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3-[26-(4-aminobutyl)-12-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-17-[2-(5-carbamimidamido-2-{5-carbamimidamido-2-[(2,4,6-trifluorophenyl)formamido]pentanamido}pentanamido)-3-(naphthalen-2-yl)propanamido]-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-29-yl]propanoic acid 结构式
Primary record

3-[26-(4-aminobutyl)-12-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-17-[2-(5-carbamimidamido-2-{5-carbamimidamido-2-[(2,4,6-trifluorophenyl)formamido]pentanamido}pentanamido)-3-(naphthalen-2-yl)propanamido]-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-29-yl]propanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177446829
SMILES
C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCC(=O)O)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C6=C(C=C(C=C6F)F)F)C(=O)NC(CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)O
Canonical SMILES
N=C(N)NCCCC(NC(=O)C1CSSCC(NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)c2c(F)cc(F)cc2F)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)N2CCCC2C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(N)=O)C(=O)N1)C(N)=O

名称与同义词

  • J2.022.743E
  • 3-[26-(4-aminobutyl)-12-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-17-[2-(5-carbamimidamido-2-{5-carbamimidamido-2-[(2,4,6-trifluorophenyl)formamido]pentanamido}pentanamido)-3-(naphthalen-2-yl)propanamido]-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-dotriacontahydropyrrolo[2,1-p]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-29-yl]propanoic acid
  • N2-(2,4,6-Trifluorobenzoyl)-L-Arg-L-Arg-L-betaNal-L-Cys(1)-L-Tyr-L-Cit-L-Lys-D-Glu-L-Pro-L-Tyr-L-Arg-L-Cit-L-Cys(1)-L-Arg-NH2