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

Systemtic Name: (phenylmethyl) N-[(2S)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]carbamate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3/c1-2-3-9-14-25-23(28)22(15-19-16-26-21-13-8-7-12-20(19)21)27-24(29)30-17-18-10-5-4-6-11-18/h4-8,10-13,16,22,26H,2-3,9,14-15,17H2,1H3,(H,25,28)(H,27,29)/t22-/m0/s1