[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-4-17(5-2)23-18(24)12-27-19(25)13(3)22-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-17H,4-12H2,1-3H3,(H,22,26)(H,23,24)/t13-,14?,15?,16?,21?/m0/s1