Molecule ID: 71464612

IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid

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

SMILES: N=C(O)C[C@H](N=C(O)[C@@H](N)CC(=N)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CO)C(=O)O

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

InChI: InChI=1S/C16H26N6O8/c17-7(4-11(18)24)13(26)20-8(5-12(19)25)15(28)22-3-1-2-10(22)14(27)21-9(6-23)16(29)30/h7-10,23H,1-6,17H2,(H2,18,24)(H2,19,25)(H,20,26)(H,21,27)(H,29,30)/t7-,8-,9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 248.0 Ų
- LogP: -9.1