Molecule ID: 71581066

IUPAC Name: (2S,3S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)-3-hydroxypentanoate

Description: The molecule is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (3S)-3-hydroxy-L-arginine It is a conjugate acid of a (3S)-3-hydroxy-L-arginine.

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

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

InChI: InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/p+1/t3-,4-/m0/s1

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: -4.5