(2S)-3-(1H-imidazol-5-yl)-2-[2-(phenylcarbonylsulfanyl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[2-(phenylcarbonylsulfanyl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[(2-benzoylsulfanylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[2-(benzoylthio)-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(2-benzoylsulfanylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[2-(benzoylthio)acetyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C15H15N3O4S/c19-13(8-23-15(22)10-4-2-1-3-5-10)18-12(14(20)21)6-11-7-16-9-17-11/h1-5,7,9,12H,6,8H2,(H,16,17)(H,18,19)(H,20,21)/t12-/m0/s1