2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-5-(phenylcarbonylsulfanyl)pentanoic acid

Systemtic Name: 2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-5-(phenylcarbonylsulfanyl)pentanoic acid Openeye Name: 2-amino-5-benzoylsulfanyl-2-(1H-imidazol-5-ylmethyl)-3-oxo-pentanoic acid CAS Name: 2-amino-5-(benzoylthio)-2-(1H-imidazol-5-ylmethyl)-3-oxopentanoic acid IUPAC Name: 2-amino-5-benzoylsulfanyl-2-(1H-imidazol-5-ylmethyl)-3-oxopentanoic acid Traditional Name: 2-amino-5-(benzoylthio)-2-(1H-imidazol-5-ylmethyl)-3-keto-valeric acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCC(=O)C(CC2=CN=CN2)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCC(=O)C(CC2=CN=CN2)(C(=O)O)N

InChI

InChI=1S/C16H17N3O4S/c17-16(15(22)23,8-12-9-18-10-19-12)13(20)6-7-24-14(21)11-4-2-1-3-5-11/h1-5,9-10H,6-8,17H2,(H,18,19)(H,22,23)