Molecule ID: 71464676

IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Description: The molecule is a tetrapeptide composed of two L-cysteine units joined to two L-histidine units by a peptide linkage. It has a role as a metabolite. It derives from a L-cysteine and a L-histidine.

SMILES: N[C@@H](CS)C(O)=N[C@@H](CS)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O

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

InChI: InChI=1S/C18H26N8O5S2/c19-11(5-32)15(27)26-14(6-33)17(29)24-12(1-9-3-20-7-22-9)16(28)25-13(18(30)31)2-10-4-21-8-23-10/h3-4,7-8,11-14,32-33H,1-2,5-6,19H2,(H,20,22)(H,21,23)(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t11-,12-,13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 210.0 Ų
- LogP: -4.4