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

Systemtic Name: methyl N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: methyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(phenethylamino)propan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(phenethylamino)ethyl]carbamic acid methyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-27-21(26)24-19(13-16-14-23-18-10-6-5-9-17(16)18)20(25)22-12-11-15-7-3-2-4-8-15/h2-10,14,19,23H,11-13H2,1H3,(H,22,25)(H,24,26)/t19-/m0/s1