[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C23H31N3O4/c1-15(22(28)26-18-9-5-3-4-6-10-18)30-23(29)21(25-16(2)27)13-17-14-24-20-12-8-7-11-19(17)20/h7-8,11-12,14-15,18,21,24H,3-6,9-10,13H2,1-2H3,(H,25,27)(H,26,28)/t15-,21+/m1/s1