Products 172837-41-1
CAS 172837-41-1 is the registry number for Cemadotin (hydrochloride). Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-N-benzyl-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (CAS 172837-41-1) is a chemical compound with the molecular formula C35H57ClN6O5 and a molecular weight of 677.3 g/mol. IUPAC name: (2S)-N-benzyl-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride. InChIKey: MRJQTLJSMQOFTP-JGTKTWDESA-N.
| Molecular formula | C35H57ClN6O5 |
|---|---|
| Molecular weight | 677.3 g/mol |
| IUPAC name | (2S)-N-benzyl-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride |
| InChIKey | MRJQTLJSMQOFTP-JGTKTWDESA-N |
| SMILES | CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N(C)C.Cl |
Computed by PubChem (NCBI)