2-azanyl-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-pentanoic acid

Systemtic Name: 2-azanyl-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-pentanoic acid Openeye Name: 2-amino-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)pentanoic acid CAS Name: 2-amino-5-(1H-imidazol-5-yl)-3-[(methylthio)methyl]-2-[oxo-(2-phenylphenyl)methyl]pentanoic acid IUPAC Name: 2-amino-5-(1H-imidazol-5-yl)-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)pentanoic acid Traditional Name: 2-amino-5-(1H-imidazol-5-yl)-3-[(methylthio)methyl]-2-(2-phenylbenzoyl)valeric acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CCC1=CN=CN1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCC(CCC1=CN=CN1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C23H25N3O3S/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/h2-10,13,15,17H,11-12,14,24H2,1H3,(H,25,26)(H,28,29)