Molecule ID: 71464521

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoic acid

Description: The molecule is a tetrapeptide composed of L-alanine, L-leucine, L-valine, and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-leucine, a L-valine and a L-serine.

SMILES: CC(C)C[C@H](N=C(O)[C@H](C)N)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][O][N][=C][Branch1][C][O][C@H1][Branch1][C][C][N][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/C17H32N4O6/c1-8(2)6-11(19-14(23)10(5)18)15(24)21-13(9(3)4)16(25)20-12(7-22)17(26)27/h8-13,22H,6-7,18H2,1-5H3,(H,19,23)(H,20,25)(H,21,24)(H,26,27)/t10-,11-,12-,13-/m0/s1

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: -4.1