Molecule ID: 67427

IUPAC Name: (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoic acid

Description: The molecule is an N-acetyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group. It has a role as a human metabolite. It is a conjugate acid of a N(alpha)-acetyl-L-argininate.

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

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

InChI: InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: -1.7