Molecule ID: 71464608

IUPAC Name: 2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid

Description: The molecule is a tetrapeptide composed of L-arginine, L-lysine, L-cysteine, and glycine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-arginine, a L-lysine, a L-cysteine and a glycine.

SMILES: N=C(N)NCCC[C@H](N)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CS)C(O)=NCC(=O)O

SELFIES: [N][=C][Branch1][C][N][N][C][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][Ring1][C][S][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C17H34N8O5S/c18-6-2-1-5-11(24-14(28)10(19)4-3-7-22-17(20)21)16(30)25-12(9-31)15(29)23-8-13(26)27/h10-12,31H,1-9,18-19H2,(H,23,29)(H,24,28)(H,25,30)(H,26,27)(H4,20,21,22)/t10-,11-,12-/m0/s1

Molecular Properties:
- Polar Surface Area: 242.0 Ų
- LogP: -5.7