D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, monohydrochloride, monohydrate

C₁₁H₂₅ClN₄O₅CAS 204070-00-8328.79 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine

Properties

Molecular formula: C₁₁H₂₅ClN₄O₅
Molar mass: 328.79 g/mol
Exact mass: 328.1513 Da
logP: 0.03Crippen estimate
Polar surface area: 172.5 Å²
H-bond donors / acceptors: 5 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

204070-00-8

SMILES

CC(C)(C)OC(O)=N[C@H](CCCNC(=N)N)C(=O)O.Cl.O

InChIKey

OVXLPYFDJUFEHQ-XCUBXKJBSA-N

InChI

InChI=1S/C11H22N4O4.ClH.H2O/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13;;/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14);1H;1H2/t7-;;/m1../s1

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Work with D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, monohydrochloride, monohydrate

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

D-Arginine, N2-[(1,1-dimethylethoxy)carbonyl]-, hydrochloride (1:1)113712-06-494 % similar N2-tert-Butyloxycarbonyl-L-arginine monohydrochloride35897-34-894 % similar N-tert-Butoxycarbonyl-L-arginine13726-76-688 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-060 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-659 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-358 % similar N-Acetyl-L-arginine155-84-058 % similar Benzyloxycarbonyl-L-arginine1234-35-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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