Molecule ID: 45266514

IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetate

Description: The molecule is the monocarboxylic acid anion formed by deprotonating carumonam at the carboxyl proton. It is a conjugate base of a carumonam.

SMILES: N=C(O)OC[C@@H]1[C@H](N=C(O)/C(=N\OCC(=O)[O-])c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O

SELFIES: [N][=C][Branch1][C][O][O][C][C@@H1][C@H1][Branch2][Ring1][O][N][=C][Branch1][C][O][/C][=Branch1][=Branch2][=N][\O][C][C][=Branch1][C][=O][O-1][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/p-1/b17-7-/t5-,8+/m1/s1

Molecular Properties:
- Polar Surface Area: 293.0 Ų
- LogP: -0.7