Molecule ID: 15431726

IUPAC Name: (2S)-2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]pentanedioic acid

Description: The molecule is a tripeptide composed of one L-lysine and two L-glutamic acid units joined by peptide linkages. It derives from a L-lysine and a L-glutamic acid.

SMILES: NCCCC[C@H](N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=O)O)C(=O)O

SELFIES: [N][C][C][C][C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C16H28N4O8/c17-8-2-1-3-9(18)14(25)19-10(4-6-12(21)22)15(26)20-11(16(27)28)5-7-13(23)24/h9-11H,1-8,17-18H2,(H,19,25)(H,20,26)(H,21,22)(H,23,24)(H,27,28)/t9-,10-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 222.0 Ų
- LogP: -8.4