3-(1H-indol-3-yl)-2-[(2-naphthalen-1-yl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(2-naphthalen-1-yl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(1-naphthyl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(1-naphthalenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(2-naphthalen-1-yl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-(1-naphthyl)propanoyl]amino]propionic acid Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C24H22N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-11,13,20,22,25,30H,12,14H2,(H,26,27)(H,28,29)