Molecule ID: 7020346

IUPAC Name: (2S,3S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid

Description: The molecule is a tripeptide composed of glycine, glycine and L-isoleucine residues joined in sequence. It has a role as a metabolite. It is a tautomer of a Gly-Gly-Ile zwitterion.

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

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

InChI: InChI=1S/C10H19N3O4/c1-3-6(2)9(10(16)17)13-8(15)5-12-7(14)4-11/h6,9H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: -3.0