L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)

C₃₃H₄₈N₂O₅CAS 16879-90-6552.76 g/mol

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Carboxylic acid Ether Secondary amine

Properties

Molecular formula: C₃₃H₄₈N₂O₅
Molar mass: 552.76 g/mol
Exact mass: 552.3563 Da
logP: 7.23Crippen estimate
Polar surface area: 100.4 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 9
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

16879-90-6

SMILES

C1CCC(NC2CCCCC2)CC1.CC(C)(C)Oc1ccc(C[C@H](N=C(O)OCc2ccccc2)C(=O)O)cc1

InChIKey

FDNJRKLIHBJXIR-FERBBOLQSA-N

InChI

InChI=1S/C21H25NO5.C12H23N/c1-21(2,3)27-17-11-9-15(10-12-17)13-18(19(23)24)22-20(25)26-14-16-7-5-4-6-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2/t18-;/m0./s1

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Names and synonyms

2 names

Alanine, 3-(p-tert-butoxyphenyl)-N-carboxy-, N-benzyl ester, compd. with dicyclohexylamine (1:1), L-
Alanine, 3-(p-tert-butoxyphenyl)-N-carboxy-, N-benzyl ester, compd. with dicyclohexylamine

Work with L-Tyrosine, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)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

O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-086 % similar N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-469 % similar L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-267 % similar L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)65710-58-967 % similar N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-465 % similar Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-265 % similar D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-465 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-364 % similar

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

Elsewhere

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