Molecule ID: 86289101

IUPAC Name: (2S)-2-[[(1R)-1-carboxylatoethyl]amino]-5-(diaminomethylideneazaniumyl)pentanoate

Description: The molecule is an D-alpha-amino acid anion arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine. It is a conjugate base of a D-octopine and a D-octopine dizwitterion.

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

SELFIES: [C][C@@H1][Branch2][Ring1][Ring1][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/p-1/t5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: -2.4