2-methylpropyl N-[(2S)-1-(5-azanylpentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 2-methylpropyl N-[(2S)-1-(5-azanylpentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: isobutyl N-[(1S)-2-(5-aminopentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(5-aminopentylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid isobutyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCCCCCN

Isomeric SMILES

CC(C)COC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCCCCCN

InChI

InChI=1S/C21H32N4O3/c1-15(2)14-28-21(27)25-19(20(26)23-11-7-3-6-10-22)12-16-13-24-18-9-5-4-8-17(16)18/h4-5,8-9,13,15,19,24H,3,6-7,10-12,14,22H2,1-2H3,(H,23,26)(H,25,27)/t19-/m0/s1