Molecule ID: 138911110

IUPAC Name: (2S,3S)-2-[[(2S)-4-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-methylpentanoic acid

Description: The molecule is a tripeptide composed of L-proline, L-glutamic acid and L-isoleucine joined in sequence by peptide linkages. It derives from a L-proline, a L-glutamic acid and a L-isoleucine.

SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1)C(=O)O

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

InChI: InChI=1S/C16H27N3O6/c1-3-9(2)13(16(24)25)19-15(23)11(6-7-12(20)21)18-14(22)10-5-4-8-17-10/h9-11,13,17H,3-8H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t9-,10-,11-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: -3.3