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

Systemtic Name: 2-adamantyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-4-[(2S)-1-phenyl-3-tri(propan-2-yl)silyloxy-propan-2-yl]piperazine-1-carboxylate Openeye Name: 2-adamantyl (2R)-4-[(1S)-1-benzyl-2-triisopropylsilyloxy-ethyl]-2-(1H-indol-3-ylmethyl)-3-oxo-piperazine-1-carboxylate CAS Name: (2R)-2-(1H-indol-3-ylmethyl)-3-oxo-4-[(2S)-1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]-1-piperazinecarboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl (2R)-2-(1H-indol-3-ylmethyl)-3-oxo-4-[(2S)-1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]piperazine-1-carboxylate Traditional Name: (2R)-4-[(1S)-1-benzyl-2-triisopropylsilyloxy-ethyl]-2-(1H-indol-3-ylmethyl)-3-keto-piperazine-1-carboxylic acid 2-adamantyl ester Formula: C42H59N3O4Si MolecularWeight: 698.02106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[Si](C(C)C)(C(C)C)OCC(CC1=CC=CC=C1)N2CCN(C(C2=O)CC3=CNC4=CC=CC=C43)C(=O)OC5C6CC7CC(C6)CC5C7

Isomeric SMILES

CC(C)[Si](C(C)C)(C(C)C)OC[C@H](CC1=CC=CC=C1)N2CCN([C@@H](C2=O)CC3=CNC4=CC=CC=C43)C(=O)OC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C42H59N3O4Si/c1-27(2)50(28(3)4,29(5)6)48-26-36(23-30-12-8-7-9-13-30)44-16-17-45(39(41(44)46)24-35-25-43-38-15-11-10-14-37(35)38)42(47)49-40-33-19-31-18-32(21-33)22-34(40)20-31/h7-15,25,27-29,31-34,36,39-40,43H,16-24,26H2,1-6H3/t31?,32?,33?,34?,36-,39+,40?/m0/s1