Molecule ID: 25203433

IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-3-(3-carboxylatopropanoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoate

Description: The molecule is dianion of S-succinylglutathione having anionic carboxy groups and a protonated primary amino group. It is a conjugate base of a S-succinylglutathione.

SMILES: N[C@@H](CCC([O-])=N[C@@H](CSC(=O)CCC(=O)[O-])C(O)=NCC(=O)O)C(=O)O

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

InChI: InChI=1S/C14H21N3O9S/c15-7(14(25)26)1-2-9(18)17-8(13(24)16-5-11(21)22)6-27-12(23)4-3-10(19)20/h7-8H,1-6,15H2,(H,16,24)(H,17,18)(H,19,20)(H,21,22)(H,25,26)/p-2/t7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 249.0 Ų
- LogP: -3.0