3-(1H-indol-3-yl)-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanyl-butanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanyl-butanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-mercapto-1-oxo-2-[(4-phenylphenyl)methyl]butyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanylbutanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-mercapto-2-(4-phenylbenzyl)butanoyl]amino]propionic acid Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c31-27(30-26(28(32)33)17-23-18-29-25-9-5-4-8-24(23)25)22(14-15-34)16-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13,18,22,26,29,34H,14-17H2,(H,30,31)(H,32,33)