N-[(2S)-3-methyl-1-oxidanylidene-1-(prop-2-ynylamino)butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(prop-2-ynylamino)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(prop-2-ynylcarbamoyl)propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(propargylcarbamoyl)propyl]adamantane-1-carboxamide Formula: C19H28N2O2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC#C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC#C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C19H28N2O2/c1-4-5-20-17(22)16(12(2)3)21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h1,12-16H,5-11H2,2-3H3,(H,20,22)(H,21,23)/t13?,14?,15?,16-,19?/m0/s1