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

Systemtic Name: methyl 3-[[(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-5-amino-1-methoxycarbonyl-pentyl]carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-5-amino-1-carbomethoxy-pentyl]carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O5/c1-26-16(23)15(5-3-4-6-21)22-17(24)19-8-13-7-14(9-19)11-20(10-13,12-19)18(25)27-2/h13-15H,3-12,21H2,1-2H3,(H,22,24)/t13?,14?,15-,19?,20?/m0/s1