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

Systemtic Name: methyl 3-[[(2S)-6-azanyl-1-methoxy-1-oxidanylidene-hexan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]adamantane-1-carboxylate Openeye Name: methyl 3-[[(1S)-5-amino-1-methoxycarbonyl-pentyl]-tert-butoxycarbonyl-carbamoyl]adamantane-1-carboxylate CAS Name: 3-[[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-oxomethyl]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(2S)-6-amino-1-methoxy-1-oxohexan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]adamantane-1-carboxylate Traditional Name: 3-[[(1S)-5-amino-1-carbomethoxy-pentyl]-tert-butoxycarbonyl-carbamoyl]adamantane-1-carboxylic acid methyl ester Formula: C25H40N2O7 MolecularWeight: 480.5943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O7/c1-23(2,3)34-22(31)27(18(19(28)32-4)8-6-7-9-26)20(29)24-11-16-10-17(12-24)14-25(13-16,15-24)21(30)33-5/h16-18H,6-15,26H2,1-5H3/t16?,17?,18-,24?,25?/m0/s1