Products 2366279-86-7
CAS 2366279-86-7 is the registry number for CNI103. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[2-[2-[2-[[(2S)-1-amino-6-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2,3-dichloropyridine-4-carbonyl)amino]-3,3-dimethylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanediamide (CAS 2366279-86-7) is a chemical compound with the molecular formula C116H180Cl2N36O26 and a molecular weight of 2565.8 g/mol. IUPAC name: (2S)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[2-[2-[2-[[(2S)-1-amino-6-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2,3-dichloropyridine-4-carbonyl)amino]-3,3-dimethylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanediamide. InChIKey: IWGFDOOSAUNWIB-RDJOYEBKSA-N.
| Molecular formula | C116H180Cl2N36O26 |
|---|---|
| Molecular weight | 2565.8 g/mol |
| IUPAC name | (2S)-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[2-[2-[2-[[(2S)-1-amino-6-[3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis(3-carbamimidamidopropyl)-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanoylamino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[(2,3-dichloropyridine-4-carbonyl)amino]-3,3-dimethylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxy-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanediamide |
| InChIKey | IWGFDOOSAUNWIB-RDJOYEBKSA-N |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CC[C@H]2C(=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)N2)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)C(=O)N)NC(=O)[C@H](C(C)(C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)(C)C)NC(=O)C6=C(C(=NC=C6)Cl)Cl |
Computed by PubChem (NCBI)
Synonyms:
orb2942837