Molecule ID: 139036269

IUPAC Name: (2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]butanedioic acid

Description: The molecule is a dipeptide obtained by formal condensation of the carboxy group of L-ornithine with the amino group of D-aspartic acid. It is a constituent of bacterial peptidoglycan type A4beta. It derives from a L-ornithine and a D-aspartic acid.

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

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

InChI: InChI=1S/C9H17N3O5/c10-3-1-2-5(11)8(15)12-6(9(16)17)4-7(13)14/h5-6H,1-4,10-11H2,(H,12,15)(H,13,14)(H,16,17)/t5-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: -7.0