Chemical Compound
3-[75-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4,66,92-tris(4-aminobutyl)-34-[[1-[[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-10,25-bis(2-amino-2-oxoethyl)-45,60-di(butan-2-yl)-57-(3-carbamimidamidopropyl)-48,51-bis(carboxymethyl)-83-(1-hydroxyethyl)-16-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-42-(1H-imidazol-4-ylmethyl)-13,72-dimethyl-89-(2-methylpropyl)-a,2,5,8,11,14,17,20,23,26,29,32,41,44,47,50,53,56,59,62,65,68,71,74,81,84,87,90,93-nonacosaoxo-31-propan-2-yl-2a,3a,36,37,77,78,96,97-octathia-3,6,9,12,15,18,21,24,27,30,33,40,43,46,49,52,55,58,61,64,67,70,73,82,85,88,91,94,99-nonacosazatetracyclo[52.40.4.47,28.239,80]tetrahectan-69-yl]propanoic acid
CAS Registry Number
1396322-38-5
Primary record
3-[75-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4,66,92-tris(4-aminobutyl)-34-[[1-[[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-10,25-bis(2-amino-2-oxoethyl)-45,60-di(butan-2-yl)-57-(3-carbamimidamidopropyl)-48,51-bis(carboxymethyl)-83-(1-hydroxyethyl)-16-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-42-(1H-imidazol-4-ylmethyl)-13,72-dimethyl-89-(2-methylpropyl)-a,2,5,8,11,14,17,20,23,26,29,32,41,44,47,50,53,56,59,62,65,68,71,74,81,84,87,90,93-nonacosaoxo-31-propan-2-yl-2a,3a,36,37,77,78,96,97-octathia-3,6,9,12,15,18,21,24,27,30,33,40,43,46,49,52,55,58,61,64,67,70,73,82,85,88,91,94,99-nonacosazatetracyclo[52.40.4.47,28.239,80]tetrahectan-69-yl]propanoic acid
- 库存
- 7,406 克
- 纯度
- 98.8 %
- CAS
- 1396322-38-5
化合物标识与属性
- CAS
- 1396322-38-5
- PubChem CID
- 90488991
- SMILES
- CCC(C)C1C(=O)NC(C(=O)NC2CSSCC3C(=O)NC(C(=O)NC4CSSCC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CCCCN)CCC(=O)O)C)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)CN)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3)CCCCN)CC(C)C)C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(=O)O)CC(=O)O)C(C)CC)CC6=CNC=N6)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N)C(C)C)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC4=O)CC(=O)N)C)CO)CC7=CC=C(C=C7)O)CC(=O)N)CCCCN)CCCNC(=N)N
- Canonical SMILES
- CCC(C)C1NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)CN)CSSCC2NC(=O)C3CSSCC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)NC(=O)C(C(C)C)NC(=O)C4CSSCC(NC(=O)C(CCCCN)NC(=O)C(CSSCC(NC(=O)C(CCCNC(=N)N)NC1=O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]cn1)C(=O)N3)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C(C)O)NC2=O)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)N4
名称与同义词
- Purotoxin 1
- SCHEMBL29438955
- AKOS024458421
- BAT-009146
- PD079780
- 1396322-38-5
- 3-[75-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4,66,92-tris(4-aminobutyl)-34-[[1-[[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-10,25-bis(2-amino-2-oxoethyl)-45,60-di(butan-2-yl)-57-(3-carbamimidamidopropyl)-48,51-bis(carboxymethyl)-83-(1-hydroxyethyl)-16-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-42-(1H-imidazol-4-ylmethyl)-13,72-dimethyl-89-(2-methylpropyl)-a,2,5,8,11,14,17,20,23,26,29,32,41,44,47,50,53,56,59,62,65,68,71,74,81,84,87,90,93-nonacosaoxo-31-propan-2-yl-2a,3a,36,37,77,78,96,97-octathia-3,6,9,12,15,18,21,24,27,30,33,40,43,46,49,52,55,58,61,64,67,70,73,82,85,88,91,94,99-nonacosazatetracyclo[52.40.4.47,28.239,80]tetrahectan-69-yl]propanoic acid
- H-Gly-DL-Tyr-DL-Cys(1)-DL-Ala-DL-Glu-DL-Lys-Gly-DL-xiIle-DL-Arg-DL-Cys(2)-DL-Asp-DL-Asp-DL-xiIle-DL-His-DL-Cys(3)-DL-Cys(1)-DL-xiThr-Gly-DL-Leu-DL-Lys-DL-Cys(2)-DL-Lys-DL-Cys(4)-DL-Asn-DL-Ala-DL-Ser-Gly-DL-Tyr-DL-Asn-DL-Cys(4)-DL-Val-DL-Cys(3)-DL-Arg-DL-Lys-DL-Lys-NH2