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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NHONHOOOOH
Carboxylic acidEtherSecondary 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 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

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
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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-0Free acid Dicyclohexylamine101-83-7Free base Dicyclohexylammonium nitrite3129-91-7Salt L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-2Salt N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-2Salt N-Carbobenzoxy-L-aspartic acid β-tert-butyl ester dicyclohexylamine salt (1:1)23632-70-4Salt Boc-His(Boc)-OH dicyclohexylamine (1:1)31687-58-8Salt N-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine salt26699-00-3Salt D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-4Salt L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1)1913-12-8Salt Z-D-Leu-OH.DCHA7662-58-0Salt

Similar compounds

Benzyloxycarbonyl-L-phenylalanine1161-13-364 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-564 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-664 % similar Fmoc-L-tyr(tBu)-OH71989-38-363 % similar O-Benzyl-N-((tert-butoxy)carbonyl)-L-tyrosine2130-96-363 % similar Carbobenzoxy-L-tyrosine1164-16-562 % similar N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-860 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine1676-75-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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