L-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)

C₂₃H₄₄N₂O₄CAS 21947-32-0412.62 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₂₃H₄₄N₂O₄
Molar mass: 412.62 g/mol
Exact mass: 412.3301 Da
logP: 5.60Crippen estimate
Polar surface area: 91.2 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

21947-32-0

SMILES

C1CCC(NC2CCCCC2)CC1.CCCC[C@H](N=C(O)OC(C)(C)C)C(=O)O

InChIKey

BFEVJIUEBDZIJQ-WDBKTSHHSA-N

InChI

InChI=1S/C12H23N.C11H21NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h11-13H,1-10H2;8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t;8-/m.0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Norleucine, N-carboxy-, N-tert-butyl ester, compd. with dicyclohexylamine (1:1), L-

Work with L-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)

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

N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-082 % similar N-tert-Butoxycarbonyl-L-norleucine6404-28-082 % similar L-Lysine, N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)15098-69-878 % similar L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)18942-50-278 % similar L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-876 % similar α-tert-Butoxycarbonyl-L-lysine13734-28-664 % similar Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-264 % similar D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-464 % similar

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

Elsewhere

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