Chemical Compound

3-[26-(4-aminobutyl)-12-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-17-[2-(5-carbamimidamido-2-{5-carbamimidamido-2-[(2,4,6-trimethylphenyl)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-trimethylphenyl)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-trimethylphenyl)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
177442802
SMILES
CC1=CC(=C(C(=C1)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC4CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC4=O)CC6=CC=C(C=C6)O)CCCNC(=O)N)CCCCN)CCC(=O)O)CC7=CC=C(C=C7)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N)C
Canonical SMILES
Cc1cc(C)c(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc2ccc3ccccc3c2)C(=O)NC2CSSCC(C(=O)NC(CCCNC(=N)N)C(N)=O)NC(=O)C(CCCNC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C3CCCN3C(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(N)=O)NC(=O)C(Cc3ccc(O)cc3)NC2=O)c(C)c1

名称与同义词

  • J2.022.751F
  • 3-[26-(4-aminobutyl)-12-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-17-[2-(5-carbamimidamido-2-{5-carbamimidamido-2-[(2,4,6-trimethylphenyl)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-Trimethylbenzoyl)-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