N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]amino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C22H37N3O3 MolecularWeight: 391.54748

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O3/c1-5-6-23-19(26)14(4)24-20(27)18(13(2)3)25-21(28)22-10-15-7-16(11-22)9-17(8-15)12-22/h13-18H,5-12H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/t14-,15?,16?,17?,18-,22?/m0/s1