2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-3-[[3-(sulfonylmethyl)pyridin-2-yl]amino]butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-3-[[3-(sulfonylmethyl)pyridin-2-yl]amino]butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-3-[[3-(sulfonylmethyl)-2-pyridyl]amino]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-3-[[3-(sulfonylmethyl)-2-pyridinyl]amino]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-3-[[3-(sulfonylmethyl)pyridin-2-yl]amino]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-3-[[3-(sulfonylmethyl)-2-pyridyl]amino]butyric acid Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NC3=C(C=CC=N3)C=S(=O)=O

Isomeric SMILES

CSCC(C(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NC3=C(C=CC=N3)C=S(=O)=O

InChI

InChI=1S/C24H23N3O5S2/c1-33-14-20(27-22-17(15-34(31)32)10-7-13-26-22)24(25,23(29)30)21(28)19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-13,15,20H,14,25H2,1H3,(H,26,27)(H,29,30)