Chemical Compound

3-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-17-[(2S)-2-[(2S)-2-{[(2S)-2-amino-5-carbamimidamidopentyl]amino}-5-carbamimidamidopentanamido]-3-(naphthalen-2-yl)propanamido]-26-(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-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-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-17-[(2S)-2-[(2S)-2-{[(2S)-2-amino-5-carbamimidamidopentyl]amino}-5-carbamimidamidopentanamido]-3-(naphthalen-2-yl)propanamido]-26-(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-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-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-17-[(2S)-2-[(2S)-2-{[(2S)-2-amino-5-carbamimidamidopentyl]amino}-5-carbamimidamidopentanamido]-3-(naphthalen-2-yl)propanamido]-26-(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-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
16131682
SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCC(=O)O)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
Canonical SMILES
N=C(N)NCCC[C@H](N)CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O

名称与同义词

  • TF-14012
  • J1.982.330J
  • 3-[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-6-(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentyl]amino]-5-guanidino-pentanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-20-[[(1S)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-26-(3-guanidinopropyl)-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-9,23-bis(3-ureidopropyl)-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontan-3-yl]propanoic acid
  • 3-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-17-[(2S)-2-[(2S)-2-{[(2S)-2-amino-5-carbamimidamidopentyl]amino}-5-carbamimidamidopentanamido]-3-(naphthalen-2-yl)propanamido]-26-(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-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-((2S)-2-Amino-5-{[amino(imino)methyl]amino}pentyl)-Arg-Nal-Cys-Tyr-Cit-Lys-DGlu-Pro-Tyr-Arg-Cit-Cys-Arg-NH2
  • Nalpha-[(S)-2-Amino-5-guanidinopentyl]-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