Molecule ID: 71464629

IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Description: The molecule is a tetrapeptide composed of L-aspartic acid, L-leucine, L-valine and L-serine units joined in sequence. It has a role as a metabolite.

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

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

InChI: InChI=1S/C18H32N4O8/c1-8(2)5-11(20-15(26)10(19)6-13(24)25)16(27)22-14(9(3)4)17(28)21-12(7-23)18(29)30/h8-12,14,23H,5-7,19H2,1-4H3,(H,20,26)(H,21,28)(H,22,27)(H,24,25)(H,29,30)/t10-,11-,12-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 208.0 Ų
- LogP: -5.0