Molecule ID: 44230566

IUPAC Name: (2S)-4-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-asparagine. It derives from a L-tyrosine and a L-asparagine.

SMILES: N=C(O)C[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

SELFIES: [N][=C][Branch1][C][O][C][C@H1][Branch2][Ring1][=Branch1][N][=C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C13H17N3O5/c14-9(5-7-1-3-8(17)4-2-7)12(19)16-10(13(20)21)6-11(15)18/h1-4,9-10,17H,5-6,14H2,(H2,15,18)(H,16,19)(H,20,21)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -4.6