2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-4-(2-pyridin-3-ylethanoylamino)butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-4-(2-pyridin-3-ylethanoylamino)butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-[[2-(3-pyridyl)acetyl]amino]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]-4-[[1-oxo-2-(3-pyridinyl)ethyl]amino]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-(2-phenylbenzoyl)-4-[(2-pyridin-3-ylacetyl)amino]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-(2-phenylbenzoyl)-4-[[2-(3-pyridyl)acetyl]amino]butyric acid Formula: C25H25N3O4S MolecularWeight: 463.5487

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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)NC(=O)CC3=CN=CC=C3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)NC(=O)CC3=CN=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-33-22(28-21(29)14-17-8-7-13-27-16-17)15-25(26,24(31)32)23(30)20-12-6-5-11-19(20)18-9-3-2-4-10-18/h2-13,16,22H,14-15,26H2,1H3,(H,28,29)(H,31,32)