Molecule ID: 51351777

IUPAC Name: (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoate

Description: The molecule is an N-acyl-L-alpha-amino acid anion arising from deprotonation of the carboxy group of N(alpha)-acetyl-L-arginine; major species at pH 7.3. It is a conjugate base of a N(alpha)-acetyl-L-arginine.

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

SELFIES: [C][C][Branch1][C][O-1][=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)/p-1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 134.0 Ų
- LogP: -1.0