Molecule ID: 137333904

IUPAC Name: (2S)-2-(3-azaniumylpropanoylamino)-5-(diaminomethylideneazaniumyl)pentanoate

Description: The molecule is a peptide cation that is the conjugate acid of beta-alanyl-L-arginine, arising from the deprotonation of the carboxy group and protonation of both the primary amino and guanidino groups; major species at pH 7.3. It is a conjugate acid of a beta-alanyl-L-arginine.

SMILES: N=C(N)NCCC[C@H](N=C(O)CC[NH3+])C(=O)O

SELFIES: [N][=C][Branch1][C][N][N][C][C][C][C@H1][Branch1][=Branch2][N][=C][Branch1][C][O][C][C][NH3+1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/p+1/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: -4.3