Molecule ID: 15431613

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid

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

SMILES: NCCCC[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)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][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][=N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H30N4O7/c21-10-2-1-3-14(22)18(28)24-16(11-12-4-6-13(25)7-5-12)19(29)23-15(20(30)31)8-9-17(26)27/h4-7,14-16,25H,1-3,8-11,21-22H2,(H,23,29)(H,24,28)(H,26,27)(H,30,31)/t14-,15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 205.0 Ų
- LogP: -7.0