Molecule ID: 52921589

IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-6-[[(2S)-2-amino-4-sulfanylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

Description: The molecule is a pentapeptide in which L-homocysteine is connected to tetralysine via a peptide bond to the epsilon-nitrogen of the N-terminal lysine residue.

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

SELFIES: [N][C][C][C][C][C@H1][Branch2][Branch1][Ring2][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][=C][Branch1][C][O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][C][C][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][S][C][=Branch1][C][=O][O]

InChI: InChI=1S/C28H57N9O6S/c29-14-5-1-10-21(35-25(39)19(32)9-4-8-17-34-24(38)20(33)13-18-44)26(40)36-22(11-2-6-15-30)27(41)37-23(28(42)43)12-3-7-16-31/h19-23,44H,1-18,29-33H2,(H,34,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)/t19-,20-,21-,22-,23-/m0/s1

Molecular Properties:
- Polar Surface Area: 285.0 Ų
- LogP: -4.7