Products 3032388-42-1
CAS 3032388-42-1 is the registry number for PPM-3, 98.2%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 1 mg.
(2S,4R)-1-[(2S)-2-[7-[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CAS 3032388-42-1) is a chemical compound with the molecular formula C54H69N11O6S and a molecular weight of 1000.3 g/mol. IUPAC name: (2S,4R)-1-[(2S)-2-[7-[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide. InChIKey: QGJQNPNZAYRDMS-OESUUHGFSA-N.
| Molecular formula | C54H69N11O6S |
|---|---|
| Molecular weight | 1000.3 g/mol |
| IUPAC name | (2S,4R)-1-[(2S)-2-[7-[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide |
| InChIKey | QGJQNPNZAYRDMS-OESUUHGFSA-N |
| SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCN4CCN(CC4)C5=CC(=C(C=C5)NC6=NC=C7C(=N6)N(C8=CC=CC=C8C(=O)N7C)C)OC)O |
Computed by PubChem (NCBI)