Products 284037-77-0
CAS 284037-77-0 is the registry number for JMV-1645. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid (CAS 284037-77-0) is a chemical compound with the molecular formula C49H69N13O12S and a molecular weight of 1064.2 g/mol. IUPAC name: 2-[(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid. InChIKey: DSKXSKYPLRUWNI-QSFUMIHFSA-N.
| Molecular formula | C49H69N13O12S |
|---|---|
| Molecular weight | 1064.2 g/mol |
| IUPAC name | 2-[(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid |
| InChIKey | DSKXSKYPLRUWNI-QSFUMIHFSA-N |
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](C3CC4=CC=CC=C4C3)C(=O)N[C@@H](CO)C(=O)N[C@@H]5CSC6=CC=CC=C6N(C5=O)CC(=O)O)O |
Computed by PubChem (NCBI)
Synonyms:
orb1702152