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

Systemtic Name: tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(1H-indol-3-ylmethyl)-2-oxo-2-(pentylamino)ethyl]carbamate CAS Name: N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pentylamino)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-(amylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O3/c1-5-6-9-12-22-19(25)18(24-20(26)27-21(2,3)4)13-15-14-23-17-11-8-7-10-16(15)17/h7-8,10-11,14,18,23H,5-6,9,12-13H2,1-4H3,(H,22,25)(H,24,26)/t18-/m0/s1