tert-butyl N-[(2S)-1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(cyanomethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC#N

InChI

InChI=1S/C18H22N4O3/c1-18(2,3)25-17(24)22-15(16(23)20-9-8-19)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,9-10H2,1-3H3,(H,20,23)(H,22,24)/t15-/m0/s1