Molecule ID: 71464518

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

Description: The molecule is a tetrapeptide composed of L-alanine, two L-leucine units, 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 and a L-serine.

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

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][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C18H34N4O6/c1-9(2)6-12(20-15(24)11(5)19)16(25)21-13(7-10(3)4)17(26)22-14(8-23)18(27)28/h9-14,23H,6-8,19H2,1-5H3,(H,20,24)(H,21,25)(H,22,26)(H,27,28)/t11-,12-,13-,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: -2.6