Molecule ID: 71464658

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Description: The molecule is a tetrapeptide composed of two L-alanine units linked to two L-aspartic acid units by peptide linkages. It has a role as a metabolite. It derives from a L-alanine and a L-aspartic acid.

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

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

InChI: InChI=1S/C14H22N4O9/c1-5(15)11(23)16-6(2)12(24)17-7(3-9(19)20)13(25)18-8(14(26)27)4-10(21)22/h5-8H,3-4,15H2,1-2H3,(H,16,23)(H,17,24)(H,18,25)(H,19,20)(H,21,22)(H,26,27)/t5-,6-,7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 225.0 Ų
- LogP: -5.1