2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-oxidanylcyclohexyl)propanoate

Systemtic Name: 2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-oxidanylcyclohexyl)propanoate Openeye Name: 3-(4-hydroxycyclohexyl)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoate CAS Name: 3-(4-hydroxycyclohexyl)-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]propanoate IUPAC Name: 3-(4-hydroxycyclohexyl)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]propanoate Traditional Name: 2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-(4-hydroxycyclohexyl)propionate Formula: C22H32NO6- MolecularWeight: 406.49258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4CCC(CC4)O)C(=O)[O-]

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4CCC(CC4)O)C(=O)[O-]

InChI

InChI=1S/C22H33NO6/c1-29-20(28)22-10-14-6-15(11-22)9-21(8-14,12-22)19(27)23-17(18(25)26)7-13-2-4-16(24)5-3-13/h13-17,24H,2-12H2,1H3,(H,23,27)(H,25,26)/p-1