ethyl (2S)-1-[(2S)-5-azanyl-2-(1H-indol-3-ylmethyl)-5-methyl-4-oxidanylidene-hexanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(2S)-5-azanyl-2-(1H-indol-3-ylmethyl)-5-methyl-4-oxidanylidene-hexanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2S)-1-[(2S)-5-amino-2-(1H-indol-3-ylmethyl)-5-methyl-4-oxo-hexanoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[(2S)-5-amino-2-(1H-indol-3-ylmethyl)-5-methyl-1,4-dioxohexyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(2S)-5-amino-2-(1H-indol-3-ylmethyl)-5-methyl-4-oxohexanoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-5-amino-2-(1H-indol-3-ylmethyl)-4-keto-5-methyl-hexanoyl]pipecolinic acid ethyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C(CC2=CNC3=CC=CC=C32)CC(=O)C(C)(C)N

Isomeric SMILES

CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC2=CNC3=CC=CC=C32)CC(=O)C(C)(C)N

InChI

InChI=1S/C24H33N3O4/c1-4-31-23(30)20-11-7-8-12-27(20)22(29)16(14-21(28)24(2,3)25)13-17-15-26-19-10-6-5-9-18(17)19/h5-6,9-10,15-16,20,26H,4,7-8,11-14,25H2,1-3H3/t16-,20-/m0/s1