tert-butyl N-[(2S)-3-(7-bromanyl-1H-indol-3-yl)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(7-bromanyl-1H-indol-3-yl)-1-oxidanylidene-1-(propylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-oxo-2-(propylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(7-bromo-1H-indol-3-yl)-1-oxo-1-(propylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(7-bromo-1H-indol-3-yl)-1-oxo-1-(propylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(7-bromo-1H-indol-3-yl)methyl]-2-keto-2-(propylamino)ethyl]carbamic acid tert-butyl ester Formula: C19H26BrN3O3 MolecularWeight: 424.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(CC1=CNC2=C1C=CC=C2Br)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCNC(=O)[C@H](CC1=CNC2=C1C=CC=C2Br)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H26BrN3O3/c1-5-9-21-17(24)15(23-18(25)26-19(2,3)4)10-12-11-22-16-13(12)7-6-8-14(16)20/h6-8,11,15,22H,5,9-10H2,1-4H3,(H,21,24)(H,23,25)/t15-/m0/s1