Molecule ID: 71464603

IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid

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

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

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

InChI: InChI=1S/C15H26N4O8/c1-6(2)11(19-12(23)7(3)16)14(25)17-8(4-10(21)22)13(24)18-9(5-20)15(26)27/h6-9,11,20H,4-5,16H2,1-3H3,(H,17,25)(H,18,24)(H,19,23)(H,21,22)(H,26,27)/t7-,8-,9-,11-/m0/s1

Molecular Properties:
- Polar Surface Area: 208.0 Ų
- LogP: -4.7