CAS 215713-39-6 is the registry number for Breceptin. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-[(C-hydroxycarbonimidoyl)amino]-1-oxopentan-2-yl]amino]-8-oxooctanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid (CAS 215713-39-6) is a chemical compound with the molecular formula C136H199N37O29 and a molecular weight of 2816.3 g/mol. IUPAC name: (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-[(C-hydroxycarbonimidoyl)amino]-1-oxopentan-2-yl]amino]-8-oxooctanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid. InChIKey: XVZMTEZBCLGGKT-LLIQBGFESA-N.
| Molecular formula | C136H199N37O29 |
|---|---|
| Molecular weight | 2816.3 g/mol |
| IUPAC name | (2S)-2-[[(2S,3aS,7aS)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2R)-2-[[8-[[(2R)-1-[[(2S)-1-[(2S)-2-[(2S,4R)-2-[[2-[[(1S)-2-[[(2S)-1-[[(1R)-2-[(2S,3aS,7aS)-2-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]-4-hydroxypyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-[(C-hydroxycarbonimidoyl)amino]-1-oxopentan-2-yl]amino]-8-oxooctanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-carbamimidamidopentanoic acid |
| InChIKey | XVZMTEZBCLGGKT-LLIQBGFESA-N |
| SMILES | C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@@H](C3CC4=CC=CC=C4C3)NC(=O)[C@H](CO)NC(=O)[C@H](C5CC6=CC=CC=C6C5)NC(=O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@@H]8CCCN8C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CCCCCCC(=O)N[C@H](CCCNC(=N)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N9CCC[C@H]9C(=O)N1C[C@@H](C[C@H]1C(=O)NCC(=O)N[C@@H](C1CC2=CC=CC=C2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1CC2=CC=CC=C2C1)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
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