Molecule ID: 135889289

IUPAC Name: [(1R)-1-[(2-benzyl-5-hydroxy-1,3-oxazol-4-yl)methylideneamino]-1-carboxy-2-methylpropan-2-yl]sulfanyl-(4-carboxyphenyl)mercury

Description: The molecule is an arylmercury compound consisting of benzylpenicillenic acid conjugated via its mercapto group to 4-carboxyphenylmercury. It is a monocarboxylic acid, an arylmercury compound and a benzylpenicillenic acid.

SMILES: CC(C)(S)[C@H](N=Cc1nc(Cc2ccccc2)oc1O)C(=O)[O-].O=C(O)C1=CC=C=C[CH]1.[Hg+]

SELFIES: [C][C][Branch1][C][C][Branch1][C][S][C@H1][Branch2][Ring1][=Branch1][N][=C][C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][N][O][C][=Branch1][C][=O][O-1].[O][=C][Branch1][C][O][C][=C][C][=C][=C][CH1][Ring1][=Branch1].[Hg+1]

InChI: InChI=1S/C16H18N2O4S.C7H5O2.Hg/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10;8-7(9)6-4-2-1-3-5-6;/h3-7,9,13,21,23H,8H2,1-2H3,(H,19,20);2-5H,(H,8,9);/q;;+1/p-1/t13-;;/m1../s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: nan