Products 3023560-93-9
CAS 3023560-93-9 is the registry number for BrAc-Galactose-Sar-N-Me-alanine-DM1. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(1S,2R,3S,5R,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[[2-[[3-[(2-bromoacetyl)amino]-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl-methylamino]acetyl]-methylamino]propanoate (CAS 3023560-93-9) is a chemical compound with the molecular formula C50H65BrClN5O19 and a molecular weight of 1155.4 g/mol. IUPAC name: [(1S,2R,3S,5R,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[[2-[[3-[(2-bromoacetyl)amino]-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl-methylamino]acetyl]-methylamino]propanoate. InChIKey: BRHBQOYNYCJUJX-JJYAWCKTSA-N.
| Molecular formula | C50H65BrClN5O19 |
|---|---|
| Molecular weight | 1155.4 g/mol |
| IUPAC name | [(1S,2R,3S,5R,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9-trimethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[[2-[[3-[(2-bromoacetyl)amino]-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl-methylamino]acetyl]-methylamino]propanoate |
| InChIKey | BRHBQOYNYCJUJX-JJYAWCKTSA-N |
| SMILES | C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CN(C)C(=O)OCC5=CC(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)CBr)C)OC)(NC(=O)O2)O |
Computed by PubChem (NCBI)
Synonyms:
orb3174482