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

Systemtic Name: 2-azanyl-5-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylphenyl)carbonyl-pentanoic acid Openeye Name: 2-amino-5-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylbenzoyl)pentanoic acid CAS Name: 2-amino-5-(1H-imidazol-5-ylmethylamino)-4-(methylthio)-2-[oxo-(2-phenylphenyl)methyl]pentanoic acid IUPAC Name: 2-amino-5-(1H-imidazol-5-ylmethylamino)-4-methylsulfanyl-2-(2-phenylbenzoyl)pentanoic acid Traditional Name: 2-amino-5-(1H-imidazol-5-ylmethylamino)-4-(methylthio)-2-(2-phenylbenzoyl)valeric acid Formula: C23H26N4O3S MolecularWeight: 438.54254

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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)CNCC3=CN=CN3

Isomeric SMILES

CSC(CC(C(=O)C1=CC=CC=C1C2=CC=CC=C2)(C(=O)O)N)CNCC3=CN=CN3

InChI

InChI=1S/C23H26N4O3S/c1-31-18(14-25-12-17-13-26-15-27-17)11-23(24,22(29)30)21(28)20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-10,13,15,18,25H,11-12,14,24H2,1H3,(H,26,27)(H,29,30)