Molecule ID: 139036265

IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Description: The molecule is a tripeptide composed of L-glutamine, L-lysine, and L-arginine units joined in sequence by peptide linkages. It has a role as a metabolite.

SMILES: N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O

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

InChI: InChI=1S/C17H34N8O5/c18-8-2-1-4-11(24-14(27)10(19)6-7-13(20)26)15(28)25-12(16(29)30)5-3-9-23-17(21)22/h10-12H,1-9,18-19H2,(H2,20,26)(H,24,27)(H,25,28)(H,29,30)(H4,21,22,23)/t10-,11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 255.0 Ų
- LogP: -6.1