Molecule ID: 92150

IUPAC Name: (2S)-2-amino-5-[[amino-(phosphonoamino)methylidene]amino]pentanoic acid

Description: The molecule is an arginine derivative that is L-arginine substituted by a phosphono group at N(omega)-position. It has a role as an animal metabolite. It is a phosphagen, a L-arginine derivative, a non-proteinogenic L-alpha-amino acid and a phosphoamino acid. It is a conjugate acid of a N(omega)-phosphonato-L-arginine.

SMILES: N=C(NCCC[C@H](N)C(=O)O)NP(=O)(O)O

SELFIES: [N][=C][Branch1][=C][N][C][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][N][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: -5.4