2-[[3,3-diphenyl-2-(sulfanylmethyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[3,3-diphenyl-2-(sulfanylmethyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[3,3-diphenyl-2-(sulfanylmethyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-1-oxo-3,3-diphenylpropyl]amino]propanoic acid IUPAC Name: 2-[[3,3-diphenyl-2-(sulfanylmethyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-3,3-diphenyl-propanoyl]amino]propionic acid Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C27H26N2O3S/c30-26(29-24(27(31)32)15-20-16-28-23-14-8-7-13-21(20)23)22(17-33)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,16,22,24-25,28,33H,15,17H2,(H,29,30)(H,31,32)