Molecule ID: 139036279

IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid

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

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

SELFIES: [N][C][C][C][C][C@H1][Branch2][Ring2][C][N][=C][Branch1][C][O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][O][C][=Branch1][C][=O][O]

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

Molecular Properties:
- Polar Surface Area: 184.0 Ų
- LogP: -3.6