Products 125139-68-6
CAS 125139-68-6 is the registry number for Polyphemusin II. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,37S,40S,46S)-27,40-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-13-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-10,46-dibenzyl-7,24-bis(3-carbamimidamidopropyl)-21,37-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,19,22,25,28,35,38,41,44,47-tridecaoxo-4-propan-2-yl-15,16,32,33-tetrathia-2,5,8,11,20,23,26,29,36,39,42,45,48-tridecazabicyclo[16.16.14]octatetracontane-30-carboxamide (CAS 125139-68-6) is a chemical compound with the molecular formula C108H161N37O20S4 and a molecular weight of 2425.9 g/mol. IUPAC name: (1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,37S,40S,46S)-27,40-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-13-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-10,46-dibenzyl-7,24-bis(3-carbamimidamidopropyl)-21,37-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,19,22,25,28,35,38,41,44,47-tridecaoxo-4-propan-2-yl-15,16,32,33-tetrathia-2,5,8,11,20,23,26,29,36,39,42,45,48-tridecazabicyclo[16.16.14]octatetracontane-30-carboxamide. InChIKey: WGGSNNMSSGLKHI-HLICZWCASA-N.
| Molecular formula | C108H161N37O20S4 |
|---|---|
| Molecular weight | 2425.9 g/mol |
| IUPAC name | (1R,4S,7S,10S,13R,18R,21S,24S,27S,30R,37S,40S,46S)-27,40-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-13-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-10,46-dibenzyl-7,24-bis(3-carbamimidamidopropyl)-21,37-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,19,22,25,28,35,38,41,44,47-tridecaoxo-4-propan-2-yl-15,16,32,33-tetrathia-2,5,8,11,20,23,26,29,36,39,42,45,48-tridecazabicyclo[16.16.14]octatetracontane-30-carboxamide |
| InChIKey | WGGSNNMSSGLKHI-HLICZWCASA-N |
| SMILES | CC(C)[C@H]1C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC6=CC=C(C=C6)O)CCCCN)CC7=CC=CC=C7)CC8=CC=C(C=C8)O)CCCNC(=N)N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N |
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