Molecule ID: 138911103

IUPAC Name: (4S)-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid

Description: The molecule is a tripeptide composed of L-lysine, L-glutamic acid and L-threonine joined in sequence by peptide linkages. It derives from a L-lysine, a L-glutamic acid and a L-threonine.

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

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

InChI: InChI=1S/C15H28N4O7/c1-8(20)12(15(25)26)19-14(24)10(5-6-11(21)22)18-13(23)9(17)4-2-3-7-16/h8-10,12,20H,2-7,16-17H2,1H3,(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t8-,9+,10+,12+/m1/s1

Molecular Properties:
- Polar Surface Area: 205.0 Ų
- LogP: -7.2