(E)-2-azanyl-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-pent-4-enoic acid

Systemtic Name: (E)-2-azanyl-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-pent-4-enoic acid Openeye Name: (E)-2-amino-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)pent-4-enoic acid CAS Name: (E)-2-amino-5-(1H-imidazol-5-yl)-3-[(methylthio)methyl]-2-[oxo-(2-phenylphenyl)methyl]-4-pentenoic acid IUPAC Name: (E)-2-amino-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)pent-4-enoic acid Traditional Name: (E)-2-amino-5-(1H-imidazol-5-yl)-3-[(methylthio)methyl]-2-(2-phenylbenzoyl)pent-4-enoic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C=CC1=CN=CN1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-30-14-17(11-12-18-13-25-15-26-18)23(24,22(28)29)21(27)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-13,15,17H,14,24H2,1H3,(H,25,26)(H,28,29)/b12-11+