(2S)-2-[(2R)-2-benzamidopropanoyl]sulfanyl-3-dibenzofuran-2-yl-propanoic acid

Systemtic Name: (2S)-2-[(2R)-2-benzamidopropanoyl]sulfanyl-3-dibenzofuran-2-yl-propanoic acid Openeye Name: (2S)-2-[(2R)-2-benzamidopropanoyl]sulfanyl-3-dibenzofuran-2-yl-propanoic acid CAS Name: (2S)-2-[[(2R)-2-benzamido-1-oxopropyl]thio]-3-(2-dibenzofuranyl)propanoic acid IUPAC Name: (2S)-2-[(2R)-2-benzamidopropanoyl]sulfanyl-3-dibenzofuran-2-ylpropanoic acid Traditional Name: (2S)-2-[[(2R)-2-benzamidopropanoyl]thio]-3-dibenzofuran-2-yl-propionic acid Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SC(CC1=CC2=C(C=C1)OC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)S[C@@H](CC1=CC2=C(C=C1)OC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21NO5S/c1-15(26-23(27)17-7-3-2-4-8-17)25(30)32-22(24(28)29)14-16-11-12-21-19(13-16)18-9-5-6-10-20(18)31-21/h2-13,15,22H,14H2,1H3,(H,26,27)(H,28,29)/t15-,22+/m1/s1