chempirical

N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester

C23H20N2O7CAS 3556-56-7436.42 g/mol

Open in Covalent MOL file
OON+OO−HONHOO
EsterNitroPhenol

Properties

Molecular formula
C23H20N2O7
Molar mass
436.42 g/mol
Exact mass
436.1271 Da
Melting point
155–156 °C
logP
3.95Crippen estimate
Polar surface area
131.5 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3556-56-7
SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccc(O)cc1)N=C(O)OCc1ccccc1
InChIKey
WUHIFOXZYIQZFP-NRFANRHFSA-N
InChI
InChI=1S/C23H20N2O7/c26-19-10-6-16(7-11-19)14-21(24-23(28)31-15-17-4-2-1-3-5-17)22(27)32-20-12-8-18(9-13-20)25(29)30/h1-13,21,26H,14-15H2,(H,24,28)/t21-/m0/s1

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Names and synonyms

8 names
  • L-Tyrosine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
  • Tyrosine, N-carboxy-, N-benzyl p-nitrophenyl ester, L-
  • N-(Benzyloxycarbonyl)-L-tyrosine p-nitrophenyl ester
  • N-α-Carbobenzoxy-L-tyrosine p-nitrophenyl ester
  • N-Carbobenzoxy-L-tyrosine p-nitrophenyl ester
  • α-N-Benzyloxycarbonyl-L-tyrosine p-nitrophenyl ester
  • p-Nitrophenyl N-benzyloxycarbonyl-L-tyrosine
  • NSC 88489

Work with N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl 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

N-[(Phenylmethoxy)carbonyl]-L-phenylalanine 4-nitrophenyl ester2578-84-989 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 4-nitrophenyl ester1738-87-072 % similar N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-068 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester13512-31-763 % similar Carbobenzoxy-L-tyrosine1164-16-561 % similar N-[(Phenylmethoxy)carbonyl]glycine 4-nitrophenyl ester1738-86-958 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-352 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-552 % similar

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

Elsewhere

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