Molecule ID: 132274122

IUPAC Name: (2S)-2-amino-6-[[(2S,3S)-2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-(sulfoamino)butanoyl]amino]hexanoic acid

Description: The molecule is an L-lysine derivative obtained from nucleophilic cleavage of the beta-lactam ring of aztreonam by the epsilon-amino group of the L-lysine molecule. It contains an aztreonyl group. It derives from an aztreonam.

SMILES: C[C@H](NS(=O)(=O)O)[C@H](N=C(O)/C(=N\OC(C)(C)C(=O)O)c1csc(=N)[nH]1)C(O)=NCCCC[C@H](N)C(=O)O

SELFIES: [C][C@H1][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch2][Ring1][P][N][=C][Branch1][C][O][/C][=Branch1][#C][=N][\O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][Branch1][C][O][=N][C][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C19H31N7O10S2/c1-9(26-38(33,34)35)12(14(27)22-7-5-4-6-10(20)16(29)30)24-15(28)13(11-8-37-18(21)23-11)25-36-19(2,3)17(31)32/h8-10,12,26H,4-7,20H2,1-3H3,(H2,21,23)(H,22,27)(H,24,28)(H,29,30)(H,31,32)(H,33,34,35)/b25-13-/t9-,10-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 322.0 Ų
- LogP: -3.2