N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester

C₁₉H₂₁NO₅CAS 16597-50-5343.38 g/mol

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Properties

Molecular formula: C₁₉H₂₁NO₅
Molar mass: 343.38 g/mol
Exact mass: 343.1420 Da
Melting point: 63–64 °C
logP: 2.61Crippen estimate
Polar surface area: 88.3 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 7
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

16597-50-5

SMILES

C[C@@H](O)[C@H](N=C(O)OCc1ccccc1)C(=O)OCc1ccccc1

InChIKey

VBKUVUJWFDXTMS-PBHICJAKSA-N

InChI

InChI=1S/C19H21NO5/c1-14(21)17(18(22)24-12-15-8-4-2-5-9-15)20-19(23)25-13-16-10-6-3-7-11-16/h2-11,14,17,21H,12-13H2,1H3,(H,20,23)/t14-,17+/m1/s1

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Names and synonyms

6 names

L-Threonine, N-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
Threonine, N-carboxy-, dibenzyl ester, L-
Threonine, N-carboxy-, dibenzyl ester
N-(Benzyloxycarbonyl)threonine benzyl ester
N-(Benzyloxycarbonyl)-L-threonine benzyl ester
(2S,3R)-2-[(Benzyloxycarbonyl)amino]-3-hydroxybutanoic acid benzyl ester

Work with N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester

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

Z-Thr-oh19728-63-378 % similar Phenylmethyl N-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]carbamate49705-98-870 % similar Benzyloxycarbonyl-L-valine1149-26-463 % similar N-(Benzyloxycarbonyl)-dl-valine3588-63-463 % similar N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide ester3496-11-559 % similar Benzyloxycarbonyl-L-alanine1142-20-758 % similar N-(Benzyloxycarbonyl)-dl-alanine4132-86-958 % similar N-[(Phenylmethoxy)carbonyl]-L-isoleucine3160-59-658 % similar

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

Elsewhere

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