Molecule ID: 92136115

IUPAC Name: (4S)-4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of (S)-lorglumide, obtained by deprotonation of the carboxy group. It is a conjugate base of a (S)-lorglumide. It is an enantiomer of a (R)-lorglumide(1-).

SMILES: CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])N=C(O)c1ccc(Cl)c(Cl)c1

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

InChI: InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)/p-1/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.5 Ų
- LogP: 6.1