N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]propan-2-yl]adamantane-2-carboxamide

Systemtic Name: N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]propan-2-yl]adamantane-2-carboxamide Openeye Name: N-[(1R)-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-ethyl]adamantane-2-carboxamide CAS Name: N-[(2R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]-2-adamantanecarboxamide IUPAC Name: N-[(2R)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]adamantane-2-carboxamide Traditional Name: N-[(1R)-2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-ethyl]adamantane-2-carboxamide Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NC(CC3=CC=CC=C3)CO)NC(=O)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@@H](CC3=CC=CC=C3)CO)NC(=O)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C32H39N3O3/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,31(38)34-26(19-36)16-20-7-3-2-4-8-20)35-30(37)29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,38)(H,35,37)/t21?,22?,23?,24?,26-,29?,32+/m0/s1