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

Systemtic Name: tert-butyl N-[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(1H-benzimidazol-2-ylmethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(1H-benzimidazol-2-ylmethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H27N5O3/c1-24(2,3)32-23(31)29-20(12-15-13-25-17-9-5-4-8-16(15)17)22(30)26-14-21-27-18-10-6-7-11-19(18)28-21/h4-11,13,20,25H,12,14H2,1-3H3,(H,26,30)(H,27,28)(H,29,31)/t20-/m0/s1