2-azanyl-5-(1H-imidazol-5-ylmethylsulfanyl)-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-pentanoic acid

Systemtic Name: 2-azanyl-5-(1H-imidazol-5-ylmethylsulfanyl)-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-pentanoic acid Openeye Name: 2-amino-5-(1H-imidazol-5-ylmethylsulfanyl)-4-methylsulfanyl-2-(2-phenylbenzoyl)pentanoic acid CAS Name: 2-amino-5-(1H-imidazol-5-ylmethylthio)-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]pentanoic acid IUPAC Name: 2-amino-5-(1H-imidazol-5-ylmethylsulfanyl)-4-methylsulfanyl-2-(2-phenylbenzoyl)pentanoic acid Traditional Name: 2-amino-5-(1H-imidazol-5-ylmethylthio)-4-(methylthio)-2-(2-phenylbenzoyl)valeric acid Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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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)CSCC3=CN=CN3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CSCC3=CN=CN3

InChI

InChI=1S/C23H25N3O3S2/c1-30-18(14-31-13-17-12-25-15-26-17)11-23(24,22(28)29)21(27)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-10,12,15,18H,11,13-14,24H2,1H3,(H,25,26)(H,28,29)