methyl 3-[[(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]-(dimethylcarbamoyl)carbamoyl]adamantane-1-carboxylate

Systemtic Name: methyl 3-[[(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]-(dimethylcarbamoyl)carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-5-amino-1-methoxycarbonyl-pentyl]-(dimethylcarbamoyl)carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-[dimethylamino(oxo)methyl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-(dimethylcarbamoyl)carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-5-amino-1-carbomethoxy-pentyl]-(dimethylcarbamoyl)carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C23H37N3O6 MolecularWeight: 451.55638

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N(C(CCCCN)C(=O)OC)C(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)N([C@@H](CCCCN)C(=O)OC)C(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

InChI

InChI=1S/C23H37N3O6/c1-25(2)21(30)26(17(18(27)31-3)7-5-6-8-24)19(28)22-10-15-9-16(11-22)13-23(12-15,14-22)20(29)32-4/h15-17H,5-14,24H2,1-4H3/t15?,16?,17-,22?,23?/m0/s1