2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(sulfonylamino)pentanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-5-(sulfonylamino)pentanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(sulfonylamino)pentanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-5-(sulfonylamino)pentanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-5-(sulfonylamino)pentanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-5-(sulfonylamino)valeric acid Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CN=S(=O)=O

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CN=S(=O)=O

InChI

InChI=1S/C19H20N2O5S2/c1-27-14(12-21-28(25)26)11-19(20,18(23)24)17(22)16-10-6-5-9-15(16)13-7-3-2-4-8-13/h2-10,14H,11-12,20H2,1H3,(H,23,24)