N-[(2S)-1-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C23H30BrN3O3 MolecularWeight: 476.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30BrN3O3/c1-13-5-18(24)3-4-19(13)27-20(28)12-25-21(29)14(2)26-22(30)23-9-15-6-16(10-23)8-17(7-15)11-23/h3-5,14-17H,6-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)/t14-,15?,16?,17?,23?/m0/s1