(phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(3-phenylmethoxypropylamino)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(3-phenylmethoxypropylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(3-benzyloxypropylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylmethoxypropylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(3-phenylmethoxypropylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-(3-benzoxypropylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c33-28(30-16-9-17-35-20-22-10-3-1-4-11-22)27(18-24-19-31-26-15-8-7-14-25(24)26)32-29(34)36-21-23-12-5-2-6-13-23/h1-8,10-15,19,27,31H,9,16-18,20-21H2,(H,30,33)(H,32,34)/t27-/m0/s1