CAS 808102-57-0 is the registry number for Arenicin-1. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,31S,34S,37S,40S,43S,46S,49S,52S,55R)-55-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-7,10,16,31,37-pentakis(3-carbamimidamidopropyl)-13,43,49-tris[(4-hydroxyphenyl)methyl]-46-methyl-22-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-heptadecaoxo-19,25,34,40,52-penta(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecazacyclohexapentacontane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid (CAS 808102-57-0) is a chemical compound with the molecular formula C127H193N41O25S2 and a molecular weight of 2758.3 g/mol. IUPAC name: (2S)-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,31S,34S,37S,40S,43S,46S,49S,52S,55R)-55-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-7,10,16,31,37-pentakis(3-carbamimidamidopropyl)-13,43,49-tris[(4-hydroxyphenyl)methyl]-46-methyl-22-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-heptadecaoxo-19,25,34,40,52-penta(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecazacyclohexapentacontane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid. InChIKey: NJPAGDVGTAJRTH-YXDKXNEZSA-N.
| Molecular formula | C127H193N41O25S2 |
|---|---|
| Molecular weight | 2758.3 g/mol |
| IUPAC name | (2S)-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,31S,34S,37S,40S,43S,46S,49S,52S,55R)-55-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-7,10,16,31,37-pentakis(3-carbamimidamidopropyl)-13,43,49-tris[(4-hydroxyphenyl)methyl]-46-methyl-22-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-heptadecaoxo-19,25,34,40,52-penta(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecazacyclohexapentacontane-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| InChIKey | NJPAGDVGTAJRTH-YXDKXNEZSA-N |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=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)N1)CC2=CC=C(C=C2)O)C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)O)CCCNC(=N)N)CCCNC(=N)N)CC7=CC=C(C=C7)O)CCCNC(=N)N)C(C)C)CC(C)C)C(C)C)CCCNC(=N)N)C(C)C)CCCNC(=N)N)C(C)C)CC8=CC=C(C=C8)O |
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