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

Systemtic Name: tert-butyl N-[(2S)-1-(3-imidazol-1-ylpropylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(3-imidazol-1-ylpropylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[3-(1-imidazolyl)propylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(3-imidazol-1-ylpropylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(3-imidazol-1-ylpropylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C22H29N5O3/c1-22(2,3)30-21(29)26-19(13-16-14-25-18-8-5-4-7-17(16)18)20(28)24-9-6-11-27-12-10-23-15-27/h4-5,7-8,10,12,14-15,19,25H,6,9,11,13H2,1-3H3,(H,24,28)(H,26,29)/t19-/m0/s1