Molecule ID: 136351788

IUPAC Name: (2R)-2-[(3S)-3-[[(2Z)-2-hydroxyimino-2-(4-oxidophenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetate

Description: The molecule is a monocarboxylic acid anion obtained by deprotonation of the carboxy and oxime OH groups of nocardicin E. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as an antimicrobial agent. It is a conjugate base of a nocardicin E(1-).

SMILES: O=C(O)[C@@H](c1ccc([O-])cc1)N1C[C@H](N=C(O)/C(=N\O)c2ccc([O-])cc2)C1=O

SELFIES: [O][=C][Branch1][C][O][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][N][C][C@H1][Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][/C][=Branch1][Ring1][=N][\O][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][C][Ring1][P][=O]

InChI: InChI=1S/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)/p-2/b21-15-/t14-,16+/m0/s1

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: 3.1