Products 489427-17-0
CAS 489427-17-0 is the registry number for Maraciclatide. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[5-[(3-hydroxyimino-2-methylbutan-2-yl)amino]-3-[2-[(3-hydroxyimino-2-methylbutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid (CAS 489427-17-0) is a chemical compound with the molecular formula C72H120N20O21S3 and a molecular weight of 1698.0 g/mol. IUPAC name: 2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[5-[(3-hydroxyimino-2-methylbutan-2-yl)amino]-3-[2-[(3-hydroxyimino-2-methylbutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid. InChIKey: OTOMOKKNHNZSBB-CQSZQERZSA-N.
| Molecular formula | C72H120N20O21S3 |
|---|---|
| Molecular weight | 1698.0 g/mol |
| IUPAC name | 2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[5-[(3-hydroxyimino-2-methylbutan-2-yl)amino]-3-[2-[(3-hydroxyimino-2-methylbutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid |
| InChIKey | OTOMOKKNHNZSBB-CQSZQERZSA-N |
| SMILES | CC(=NO)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N1)C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)N)CC3=CC=CC=C3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCN=C(N)N)CC(=O)O)CCNC(C)(C)C(=NO)C |
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