L-argininosuccinic acid   

GtoPdb Ligand ID: 5324

Synonyms: L-arginosuccinate | L-arginosuccinic acid
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 185.83
Molecular weight 290.12
XLogP -3.44
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES N=C(NC(C(=O)O)CC(=O)O)NCCCC(C(=O)O)N
Isomeric SMILES N=C(N[C@H](C(=O)O)CC(=O)O)NCCC[C@@H](C(=O)O)N
InChI InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1
InChI Key KDZOASGQNOPSCU-WDSKDSINSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-[[N'-[(4S)-4-amino-5-hydroxy-5-oxopentyl]carbamimidoyl]amino]butanedioic acid
Synonyms
L-arginosuccinate | L-arginosuccinic acid
Database Links
CAS Registry No. 2387-71-5 (source: Scifinder)
GtoPdb PubChem SID 53801007
PubChem CID 16950
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Wikipedia Argininosuccinate