tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(4-pyridylmethylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(4-pyridylmethylamino)ethyl]carbamic acid tert-butyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C22H26N4O3/c1-22(2,3)29-21(28)26-19(20(27)25-13-15-8-10-23-11-9-15)12-16-14-24-18-7-5-4-6-17(16)18/h4-11,14,19,24H,12-13H2,1-3H3,(H,25,27)(H,26,28)/t19-/m0/s1