2-azanyl-6-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-6-oxidanylidene-2-(2-phenylphenyl)carbonyl-hex-4-ynoic acid

Systemtic Name: 2-azanyl-6-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-6-oxidanylidene-2-(2-phenylphenyl)carbonyl-hex-4-ynoic acid Openeye Name: 2-amino-6-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-6-oxo-2-(2-phenylbenzoyl)hex-4-ynoic acid CAS Name: 2-amino-6-(1H-imidazol-5-yl)-3-[(methylthio)methyl]-6-oxo-2-[oxo-(2-phenylphenyl)methyl]-4-hexynoic acid IUPAC Name: 2-amino-6-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-6-oxo-2-(2-phenylbenzoyl)hex-4-ynoic acid Traditional Name: 2-amino-6-(1H-imidazol-5-yl)-6-keto-3-[(methylthio)methyl]-2-(2-phenylbenzoyl)hex-4-ynoic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C#CC(=O)C1=CN=CN1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCC(C#CC(=O)C1=CN=CN1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H21N3O4S/c1-32-14-17(11-12-21(28)20-13-26-15-27-20)24(25,23(30)31)22(29)19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-10,13,15,17H,14,25H2,1H3,(H,26,27)(H,30,31)