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

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-[(3-phenylphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-[(3-phenylphenyl)methyl]-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-1-oxo-3-(3-phenylphenyl)propyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-[(3-phenylphenyl)methyl]-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(mercaptomethyl)-3-(3-phenylphenyl)propanoyl]amino]propionic acid Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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