Molecule ID: 122198223

IUPAC Name: (2S,3S)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-3-methylpentanoate

Description: The molecule is a peptide anion that is the conjugate base of gamma-Glu-Ile, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. It is a conjugate base of a gamma-Glu-Ile.

SMILES: CC[C@H](C)[C@H](N=C([O-])CC[C@H](N)C(=O)O)C(=O)O

SELFIES: [C][C][C@H1][Branch1][C][C][C@H1][Branch1][P][N][=C][Branch1][C][O-1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H20N2O5/c1-3-6(2)9(11(17)18)13-8(14)5-4-7(12)10(15)16/h6-7,9H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/p-1/t6-,7-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 137.0 Ų
- LogP: -1.1