Products 1698870-53-9
CAS 1698870-53-9 is the registry number for Val-Cit-PAB-DEA-Duo-DM. Offered by: MedChemExpress. Available pack sizes: Get quote.
[(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate (CAS 1698870-53-9) is a chemical compound with the molecular formula C50H63ClN10O9 and a molecular weight of 983.5 g/mol. IUPAC name: [(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate. InChIKey: JSOJLGMYTGKZMI-PYJAHMOXSA-N.
| Molecular formula | C50H63ClN10O9 |
|---|---|
| Molecular weight | 983.5 g/mol |
| IUPAC name | [(1S)-1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate |
| InChIKey | JSOJLGMYTGKZMI-PYJAHMOXSA-N |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)N(C)CCN(C)C(=O)OC2=CC3=C([C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)OCCN(C)C)CCl)C6=CC=CC=C62)N |
Computed by PubChem (NCBI)
Synonyms:
Val-Cit-PAB-DEA-Duo-DM, orb2664646