(2S)-2-[3-cyclopropyl-4-(naphthalen-1-ylmethyl)-6-oxidanylidene-2-oxidanylsulfanyl-pyridin-1-yl]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[3-cyclopropyl-4-(naphthalen-1-ylmethyl)-6-oxidanylidene-2-oxidanylsulfanyl-pyridin-1-yl]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[3-cyclopropyl-2-hydroxysulfanyl-4-(1-naphthylmethyl)-6-oxo-1-pyridyl]-3-phenyl-propanoic acid CAS Name: (2S)-2-[3-cyclopropyl-2-(hydroxythio)-4-(1-naphthalenylmethyl)-6-oxo-1-pyridinyl]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[3-cyclopropyl-2-hydroxysulfanyl-4-(naphthalen-1-ylmethyl)-6-oxopyridin-1-yl]-3-phenylpropanoic acid Traditional Name: (2S)-2-[3-cyclopropyl-6-keto-4-(1-naphthylmethyl)-2-sulfeno-1-pyridyl]-3-phenyl-propionic acid Formula: C28H25NO4S MolecularWeight: 471.5674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N(C(=O)C=C2CC3=CC=CC4=CC=CC=C43)C(CC5=CC=CC=C5)C(=O)O)SO

Isomeric SMILES

C1CC1C2=C(N(C(=O)C=C2CC3=CC=CC4=CC=CC=C43)[C@@H](CC5=CC=CC=C5)C(=O)O)SO

InChI

InChI=1S/C28H25NO4S/c30-25-17-22(16-21-11-6-10-19-9-4-5-12-23(19)21)26(20-13-14-20)27(34-33)29(25)24(28(31)32)15-18-7-2-1-3-8-18/h1-12,17,20,24,33H,13-16H2,(H,31,32)/t24-/m0/s1