3-(1H-indol-3-yl)-2-(2-naphthalen-2-ylethanoylamino)-2-(propanoylamino)hexanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-(2-naphthalen-2-ylethanoylamino)-2-(propanoylamino)hexanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(2-naphthyl)acetyl]amino]-2-(propanoylamino)hexanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-(2-naphthalenyl)-1-oxoethyl]amino]-2-(1-oxopropylamino)hexanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(2-naphthalen-2-ylacetyl)amino]-2-(propanoylamino)hexanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(2-naphthyl)acetyl]amino]-2-propionamido-hexanoic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CNC2=CC=CC=C21)C(C(=O)O)(NC(=O)CC)NC(=O)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCC(C1=CNC2=CC=CC=C21)C(C(=O)O)(NC(=O)CC)NC(=O)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H31N3O4/c1-3-9-24(23-18-30-25-13-8-7-12-22(23)25)29(28(35)36,31-26(33)4-2)32-27(34)17-19-14-15-20-10-5-6-11-21(20)16-19/h5-8,10-16,18,24,30H,3-4,9,17H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)