L-Canavanine Sulfate
PubChem CID: 11957500
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| Compound Synonyms | L-Canavanine sulfate, 2219-31-0, Canavanine sulfate, CANAVANINE SULPHATE, L-Canavanine sulphate, canavanine monosulfate, PN00Q697SG, CHEBI:78901, AI3-52581, L-canavanine monosulfate, (+)-canavanine sulfate, EINECS 218-728-4, L-Homoserine, O-((aminoiminomethyl)amino)-, sulfate (1:1), MFCD00012618, (+)-canavanine monosulfate, CANAVANINE SULFATE [MI], DTXSID4044614, (S)-2-Amino-4-(guanidinooxy)butanoic acid compound with sulfuric acid (1:1), O-carbamimidamido-L-homoserine sulfate, Butyric acid, 2-amino-4-(guanidinooxy)-, sulfate (1:1), L-, L-HOMOSERINE, O-((AMINOIMINOMETHYL)AMINO)-, SULFATE, L-Homoserine, O-[(aminoiminomethyl)amino]-, sulfate (1:1), (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid, sulfuric acid, (2S)-2-azaniumyl-4-({[ammonio(imino)methyl]amino}oxy)butanoate hydrogen sulfate, UNII-PN00Q697SG, (2S)-2-azaniumyl-4-(((ammonio(imino)methyl)amino)oxy)butanoate hydrogen sulfate, SCHEMBL344182, (L)-canavanine, sulfuric acid, CHEMBL1551643, DTXCID2024614, HY-B1581A, MVIPJKVMOKFIEV-DFWYDOINSA-N, HMS3260P22, Tox21_500320, AC2526, CCG-36451, AKOS024458602, CS-7958, FC19660, LP00320, NCGC00093764-01, NCGC00261005-01, CS-12902, EU-0100320, C 9758, L-Canavanine sulfate salt, >=99% (TLC), powder, SR-01000075795, SR-01000597836, SR-01000075795-1, SR-01000597836-1, L-alpha-Amino-gamma-(guanidinooxy)butyric acid sulfate, Q27148015, (S)-2-Amino-4-(guanidinooxy)butanoicacidsulfuricacidsalt, L-alpha-Amino-gamma-(guanidinooxy)butyric acid sulfate salt, (S)-2-Amino-4-(guanidinooxy)butanoic acid sulfuric acid salt, (2S)-2-amino-4-{[(diaminomethylidene)amino]oxy}butanoic acid, sulfuric acid, O-[(Aminoiminomethyl)amino]-L-homoserine sulfate, 2-Amino-4-(guanidinooxy)butyric acid sulfate |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 220.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Aminoacids |
| Deep Smiles | OS=O)=O)O.OC=O)[C@H]CCON=CN)N))))))N |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid, sulfuric acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H14N4O7S |
| Inchi Key | MVIPJKVMOKFIEV-DFWYDOINSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | canavanine sulphate |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CN, CON=C(N)N, O=S(=O)(O)O |
| Compound Name | L-Canavanine Sulfate |
| Exact Mass | 274.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.058 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 274.26 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8, 1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9), (H2,1,2,3,4)/t3-, /m0./s1 |
| Smiles | C(CON=C(N)N)[C@@H](C(=O)O)N.OS(=O)(=O)O |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Canavalia Gladiata (Plant) Rel Props:Reference:ISBN:9788172360481