Products 1941168-69-9
CAS 1941168-69-9 is the registry number for Nitro-PDS-Tubulysin M. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methyl-1-[[4-[[(2R)-2-[(6-nitro-3-pyridinyl)disulfanyl]propoxy]carbonylamino]phenyl]methyl]piperidin-1-ium-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid (CAS 1941168-69-9) is a chemical compound with the molecular formula C54H73N8O11S3+ and a molecular weight of 1106.4 g/mol. IUPAC name: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methyl-1-[[4-[[(2R)-2-[(6-nitro-3-pyridinyl)disulfanyl]propoxy]carbonylamino]phenyl]methyl]piperidin-1-ium-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid. InChIKey: FVZABGIKJSSIQM-KDOZOHQXSA-O.
| Molecular formula | C54H73N8O11S3+ |
|---|---|
| Molecular weight | 1106.4 g/mol |
| IUPAC name | (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methyl-1-[[4-[[(2R)-2-[(6-nitro-3-pyridinyl)disulfanyl]propoxy]carbonylamino]phenyl]methyl]piperidin-1-ium-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid |
| InChIKey | FVZABGIKJSSIQM-KDOZOHQXSA-O |
| SMILES | CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCC[N+]3(C)CC4=CC=C(C=C4)NC(=O)OC[C@@H](C)SSC5=CN=C(C=C5)[N+](=O)[O-] |
Computed by PubChem (NCBI)
Synonyms:
Nitro-PDS-Tubulysin M, orb1987888