Molecule ID: 86289106

IUPAC Name: (4S)-4-amino-5-[[(2S)-4-carboxy-1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Description: The molecule is a tripeptide composed of two L-glutamic acid and one glycine residues joined in sequence. It has a role as a metabolite. It derives from a L-glutamic acid and a glycine.

SMILES: N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=O)O)C(O)=NCC(=O)O

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

InChI: InChI=1S/C12H19N3O8/c13-6(1-3-8(16)17)11(22)15-7(2-4-9(18)19)12(23)14-5-10(20)21/h6-7H,1-5,13H2,(H,14,23)(H,15,22)(H,16,17)(H,18,19)(H,20,21)/t6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 196.0 Ų
- LogP: -4.9