Primary Record
Iberiotoxin
- In stock
- 9,194 g
- Purity
- 99.4 %
- CAS
- 129203-60-7
Compound Identifiers & Properties
- CAS
- 129203-60-7
- PubChem CID
- 172880040
- SMILES
- CC(C)CC1C(=NC(C(=NCC(=NC(C(=NC(C(=NC(C(=NCC(=NC(C(=NC(CSSCC(C(=NC(C(=NC(C(=N1)O)CC(=O)O)O)CCCCN)O)N=C(C(C(C)C)N=C(C(CO)N=C(C(CC2=CNC3=CC=CC=C32)N=C(C4CSSCC(C(=NC(C(=NC(C(=NC(C(=NC(C(=NC(C(=N4)O)CCC(=O)O)O)CCCCN)O)CO)O)C(C)C)O)CO)O)N=C(C(CC(=O)O)N=C(C(C(C)C)N=C(C(CC(=O)O)N=C(C(C(C)O)N=C(C(CC5=CC=CC=C5)N=C(C6CCC(=N6)O)O)O)O)O)O)O)O)O)O)O)C(=NC(CCSC)C(=NCC(=NC(CCCCN)C(=NC(CCCCN)C(=NC7CSSCC(N=C(C(N=C7O)CCCNC(=N)N)O)C(=NC(CC8=CC=C(C=C8)O)C(=NC(CCC(=N)O)C(=O)O)O)O)O)O)O)O)O)O)CCCCN)O)O)CCCNC(=N)N)O)CC(=O)O)O)C(C)C)O)O)CC9=CC=CC=C9)O
- Canonical SMILES
- CSCCC(N=C(O)C1CSSCC(N=C(O)C(N=C(O)C(CO)N=C(O)C(Cc2c[nH]c3ccccc23)N=C(O)C2CSSCC(N=C(O)C(CC(=O)O)N=C(O)C(N=C(O)C(CC(=O)O)N=C(O)C(N=C(O)C(Cc3ccccc3)N=C(O)C3CCC(O)=N3)C(C)O)C(C)C)C(O)=NC(CO)C(O)=NC(C(C)C)C(O)=NC(CO)C(O)=NC(CCCCN)C(O)=NC(CCC(=O)O)C(O)=N2)C(C)C)C(O)=NC(CCCCN)C(O)=NC(CC(=O)O)C(O)=NC(CC(C)C)C(O)=NC(Cc2ccccc2)C(O)=NCC(O)=NC(C(C)C)C(O)=NC(CC(=O)O)C(O)=NC(CCCNC(=N)N)C(O)=NCC(O)=NC(CCCCN)C(O)=N1)C(O)=NCC(O)=NC(CCCCN)C(O)=NC(CCCCN)C(O)=NC1CSSCC(C(O)=NC(Cc2ccc(O)cc2)C(O)=NC(CCC(=N)O)C(=O)O)N=C(O)C(CCCNC(=N)N)N=C1O
Names & Synonyms
- Iberiotoxin
- CHEBI:233564
- C179H274N50O55S7
- 129203-60-7
- 5-amino-2-[[2-[[10-[[6-amino-2-[[6-amino-2-[[2-[[2-[[7,34-bis(4-aminobutyl)-37-[[2-[[2-[[2-[[10-(4-aminobutyl)-22-[[3-carboxy-2-[[2-[[3-carboxy-2-[[3-hydroxy-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenyl-propanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-7-(2-carboxyethyl)-13,19-bis(hydroxymethyl)-16-isopropyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-25-benzyl-16,31-bis(carboxymethyl)-13-(3-guanidinopropyl)-28-isobutyl-19-isopropyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carbonyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-7-(3-guanidinopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carbonyl]am
- 5-amino-2-[[2-[[10-[[6-amino-2-[[6-amino-2-[[2-[[2-[[7,34-bis(4-aminobutyl)-37-[[2-[[2-[[2-[[10-(4-aminobutyl)-22-[[3-carboxy-2-[[2-[[3-carboxy-2-[[3-hydroxy-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-7-(2-carboxyethyl)-13,19-bis(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-19-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacyclound
- H-DL-Pyr-DL-Phe-DL-xiThr-DL-Asp-DL-Val-DL-Asp-DL-Cys(1)-DL-Ser-DL-Val-DL-Ser-DL-Lys-DL-Glu-DL-Cys(1)-DL-Trp-DL-Ser-DL-Val-DL-Cys(2)-DL-Lys-DL-Asp-DL-Leu-DL-Phe-Gly-DL-Val-DL-Asp-DL-Arg-Gly-DL-Lys-DL-Cys(2)-DL-Met-Gly-DL-Lys-DL-Lys-DL-Cys(3)-DL-Arg-DL-Cys(3)-DL-Tyr-DL-Gln-OH