2-[[2-[5-(2-hydroxyphenyl)-1-[3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidin-2-yl]carbonylphenyl]amino]propanoic acid

Systemtic Name: 2-[[2-[5-(2-hydroxyphenyl)-1-[3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidin-2-yl]carbonylphenyl]amino]propanoic acid Openeye Name: 2-[2-[5-(2-hydroxyphenyl)-1-[3-oxo-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carbonyl]anilino]propanoic acid CAS Name: 2-[2-[[5-(2-hydroxyphenyl)-1-[2-(mercaptomethyl)-1,3-dioxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]anilino]propanoic acid IUPAC Name: 2-[2-[5-(2-hydroxyphenyl)-1-[3-oxo-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carbonyl]anilino]propanoic acid Traditional Name: 2-[2-[5-(2-hydroxyphenyl)-1-[3-keto-2-(mercaptomethyl)-3-phenyl-propanoyl]prolyl]anilino]propionic acid Formula: C30H30N2O6S MolecularWeight: 546.634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC=CC=C1C(=O)C2CCC(N2C(=O)C(CS)C(=O)C3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C(=O)O)NC1=CC=CC=C1C(=O)C2CCC(N2C(=O)C(CS)C(=O)C3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C30H30N2O6S/c1-18(30(37)38)31-23-13-7-5-11-20(23)28(35)25-16-15-24(21-12-6-8-14-26(21)33)32(25)29(36)22(17-39)27(34)19-9-3-2-4-10-19/h2-14,18,22,24-25,31,33,39H,15-17H2,1H3,(H,37,38)