N-[(Phenylmethoxy)carbonyl]-L-histidine

C₁₄H₁₅N₃O₄CAS 14997-58-1289.29 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₄H₁₅N₃O₄
Molar mass: 289.29 g/mol
Exact mass: 289.1063 Da
Melting point: 209 °C
logP: 1.54Crippen estimate
Polar surface area: 107.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

14997-58-1

SMILES

O=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1

InChIKey

WCOJOHPAKJFUDF-LBPRGKRZSA-N

InChI

InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)/t12-/m0/s1

Weigh it out

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

Names and synonyms

11 names

L-Histidine, N-[(phenylmethoxy)carbonyl]-
Histidine, N-carboxy-, N-benzyl ester, L-
N-(Benzyloxycarbonyl)-L-histidine
N-Carbobenzoxy-L-histidine
Nα-(Benzyloxycarbonyl)histidine
N-Carbobenzoxyhistidine
(Benzyloxycarbonyl)histidine
Nα-(Benzyloxycarbonyl)-L-histidine
N-(Benzyloxycarbonyl)-S-histidine
N-α-Carbobenzyloxy-L-histidine
(2S)-2-[[(Benzyloxy)carbonyl]amino]-3-(1H-imidazol-4-yl)propanoic acid

Work with N-[(Phenylmethoxy)carbonyl]-L-histidine

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

Benzyloxycarbonyl-L-phenylalanine1161-13-369 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-569 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-669 % similar N-Benzoyl-L-histidine5354-94-969 % similar Carbobenzoxy-L-tyrosine1164-16-563 % similar (tert-Butoxycarbonyl)-L-histidine17791-52-563 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-862 % similar N-Benzyloxycarbonyl-dl-serine2768-56-162 % similar

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

Elsewhere

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