(2S,5S)-N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-6-oxidanylidene-5-(2-phenylethanoylamino)piperidine-2-carboxamide

Systemtic Name: (2S,5S)-N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-6-oxidanylidene-5-(2-phenylethanoylamino)piperidine-2-carboxamide Openeye Name: (2S,5S)-N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-6-oxo-5-[(2-phenylacetyl)amino]piperidine-2-carboxamide CAS Name: (2S,5S)-N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-6-oxo-5-[(1-oxo-2-phenylethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2S,5S)-N-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-6-oxo-5-[(2-phenylacetyl)amino]piperidine-2-carboxamide Traditional Name: (2S,5S)-N-[2-(1H-indol-3-yl)ethyl]-6-keto-5-methyl-1-p-anisyl-5-[(2-phenylacetyl)amino]pipecolinamide Formula: C33H36N4O4 MolecularWeight: 552.66334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(N(C1=O)CC2=CC=C(C=C2)OC)C(=O)NCCC3=CNC4=CC=CC=C43)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C[C@@]1(CC[C@H](N(C1=O)CC2=CC=C(C=C2)OC)C(=O)NCCC3=CNC4=CC=CC=C43)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O4/c1-33(36-30(38)20-23-8-4-3-5-9-23)18-16-29(37(32(33)40)22-24-12-14-26(41-2)15-13-24)31(39)34-19-17-25-21-35-28-11-7-6-10-27(25)28/h3-15,21,29,35H,16-20,22H2,1-2H3,(H,34,39)(H,36,38)/t29-,33-/m0/s1