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

Systemtic Name: (phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(1-phenylethylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(1-phenylethylamino)ethyl]carbamic acid benzyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-19(21-12-6-3-7-13-21)29-26(31)25(16-22-17-28-24-15-9-8-14-23(22)24)30-27(32)33-18-20-10-4-2-5-11-20/h2-15,17,19,25,28H,16,18H2,1H3,(H,29,31)(H,30,32)/t19?,25-/m0/s1