2-[[2-(furan-2-ylmethyl)-3-sulfanyl-propanoyl]-(4-phenylphenyl)amino]propanoic acid

Systemtic Name: 2-[[2-(furan-2-ylmethyl)-3-sulfanyl-propanoyl]-(4-phenylphenyl)amino]propanoic acid Openeye Name: 2-(N-[2-(2-furylmethyl)-3-sulfanyl-propanoyl]-4-phenyl-anilino)propanoic acid CAS Name: 2-(N-[2-(2-furanylmethyl)-3-mercapto-1-oxopropyl]-4-phenylanilino)propanoic acid IUPAC Name: 2-(N-[2-(furan-2-ylmethyl)-3-sulfanylpropanoyl]-4-phenylanilino)propanoic acid Traditional Name: 2-(N-[2-(2-furfuryl)-3-mercapto-propanoyl]-4-phenyl-anilino)propionic acid Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC=CO3)CS

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C(CC3=CC=CO3)CS

InChI

InChI=1S/C23H23NO4S/c1-16(23(26)27)24(22(25)19(15-29)14-21-8-5-13-28-21)20-11-9-18(10-12-20)17-6-3-2-4-7-17/h2-13,16,19,29H,14-15H2,1H3,(H,26,27)