Canavaninosuccinate

C9H16N4O7CAS 56073-32-6292.25 g/mol

Open in Covalent MOL file
ONHNOOHOHONH2OHONH2
Carboxylic acidGuanidinePrimary amine

Properties

Molecular formula
C9H16N4O7
Molar mass
292.25 g/mol
Exact mass
292.1019 Da
logP
-2.45Crippen estimate
Polar surface area
197.6 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
56073-32-6
SMILES
C(CONC(=NC(CC(=O)O)C(=O)O)N)C(C(=O)O)N
InChIKey
SGYMGUGIGTWWLU-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)

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Names and synonyms

4 names
  • 2-[[Amino-[(3-amino-3-carboxypropoxy)amino]methylidene]amino]butanedioic acid
  • N-[N-(3-Amino-3-carboxypropoxy)carbamimidoyl]aspartic acid
  • 2-[1-(3-Amino-3-carboxypropoxy)carbamimidamido]butanedioic acid
  • Aspartic acid, N-[[(3-amino-3-carboxypropoxy)amino]iminomethyl]-, (S)-

Work with Canavaninosuccinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Canavanine sulfate2219-31-049 % similar D-Aspartic acid1783-96-645 % similar Polyaspartic acid25608-40-645 % similar Aspartic acid56-84-845 % similar (+-)-Aspartic acid617-45-845 % similar L-Aspartic acid6899-03-245 % similar Glycyl-L-aspartic acid4685-12-544 % similar Poly(L-glutamic acid)25513-46-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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