Molecule ID: 102301634

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

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

SMILES: NCCCC[C@H](N)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

SELFIES: [N][C][C][C][C][C@H1][Branch1][C][N][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][Branch1][C][O][=N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H29N5O5/c21-8-4-3-6-14(22)18(27)25-17(11-26)19(28)24-16(20(29)30)9-12-10-23-15-7-2-1-5-13(12)15/h1-2,5,7,10,14,16-17,23,26H,3-4,6,8-9,11,21-22H2,(H,24,28)(H,25,27)(H,29,30)/t14-,16-,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 184.0 Ų
- LogP: -3.7