N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(phenylcarbamoylamino)phenyl]amino]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(phenylcarbamoylamino)phenyl]amino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[4-[[anilino(oxo)methyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(phenylcarbamoylamino)anilino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H36N4O3/c1-18(2)25(33-27(35)29-15-19-12-20(16-29)14-21(13-19)17-29)26(34)30-23-8-10-24(11-9-23)32-28(36)31-22-6-4-3-5-7-22/h3-11,18-21,25H,12-17H2,1-2H3,(H,30,34)(H,33,35)(H2,31,32,36)/t19?,20?,21?,25-,29?/m0/s1