Molecule ID: 56927929

IUPAC Name: (2S)-6-amino-2-[[2-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-(4-nitrophenyl)-3-[2-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetyl]oxypropoxy]acetyl]amino]hexanoic acid

Description: The molecule is a carboxylic ester derivative of chloroamphenicol incorporating an L-lysino group linked via a 2-oxoethyl group to the oxygen at C-3. It is a C-nitro compound, an organochlorine compound, a carboxylic ester, a trifluoroacetamide and a secondary carboxamide. It contains a N(2)-L-lysino group. It derives from a chloramphenicol.

SMILES: NCCCC[C@H](N=C(O)COC[C@@H](N=C(O)C(Cl)Cl)[C@H](OC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1)C(=O)O

SELFIES: [N][C][C][C][C][C@H1][Branch2][=Branch1][=Branch1][N][=C][Branch1][C][O][C][O][C][C@@H1][Branch1][O][N][=C][Branch1][C][O][C][Branch1][C][Cl][Cl][C@H1][Branch2][Ring1][=C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O]

InChI: InChI=1S/C29H32Cl2F3N5O10/c30-25(31)26(42)38-21(14-48-15-22(40)37-20(27(43)44)3-1-2-12-35)24(17-6-10-19(11-7-17)39(46)47)49-23(41)13-16-4-8-18(9-5-16)36-28(45)29(32,33)34/h4-11,20-21,24-25H,1-3,12-15,35H2,(H,36,45)(H,37,40)(H,38,42)(H,43,44)/t20-,21+,24+/m0/s1

Molecular Properties:
- Polar Surface Area: 232.0 Ų
- LogP: 0.8