2-adamantyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]piperazine-1-carboxylate

Systemtic Name: 2-adamantyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-4-[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]piperazine-1-carboxylate Openeye Name: 2-adamantyl (2R)-4-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-(1H-indol-3-ylmethyl)-3-oxo-piperazine-1-carboxylate CAS Name: (2R)-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-indol-3-ylmethyl)-3-oxo-1-piperazinecarboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl (2R)-4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(1H-indol-3-ylmethyl)-3-oxopiperazine-1-carboxylate Traditional Name: (2R)-4-[(1S)-1-benzyl-2-hydroxy-ethyl]-2-(1H-indol-3-ylmethyl)-3-keto-piperazine-1-carboxylic acid 2-adamantyl ester Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1C(=O)OC2C3CC4CC(C3)CC2C4)CC5=CNC6=CC=CC=C65)C(CC7=CC=CC=C7)CO

Isomeric SMILES

C1CN(C(=O)[C@H](N1C(=O)OC2C3CC4CC(C3)CC2C4)CC5=CNC6=CC=CC=C65)[C@@H](CC7=CC=CC=C7)CO

InChI

InChI=1S/C33H39N3O4/c37-20-27(17-21-6-2-1-3-7-21)35-10-11-36(30(32(35)38)18-26-19-34-29-9-5-4-8-28(26)29)33(39)40-31-24-13-22-12-23(15-24)16-25(31)14-22/h1-9,19,22-25,27,30-31,34,37H,10-18,20H2/t22?,23?,24?,25?,27-,30+,31?/m0/s1