Molecule ID: 71464664

IUPAC Name: (4S)-4-amino-5-[[(2S,3S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

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

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

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

InChI: InChI=1S/C16H29N3O6/c1-5-9(4)13(15(23)18-12(8(2)3)16(24)25)19-14(22)10(17)6-7-11(20)21/h8-10,12-13H,5-7,17H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,12-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 159.0 Ų
- LogP: -3.3