Molecule ID: 108012

IUPAC Name: (2R)-2-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]pentanedioic acid

Description: The molecule is an amino acid opine resulting from the formal reductive condensation of the amino group of L-arginine with the keto group of 2-oxopentanedioic acid. It is a member of guanidines, a tricarboxylic acid, a secondary amino compound, an amino acid opine, a L-arginine derivative and a D-glutamic acid derivative. It is a conjugate acid of a D-nopalinate(1-).

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

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

InChI: InChI=1S/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)/t6-,7+/m0/s1

Molecular Properties:
- Polar Surface Area: 188.0 Ų
- LogP: -4.2