chempirical

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

C20H22N2O6CAS 1738-87-0386.40 g/mol

Open in Covalent MOL file
NHOOOON+OO−
EsterNitro

Properties

Molecular formula
C20H22N2O6
Molar mass
386.40 g/mol
Exact mass
386.1478 Da
logP
4.05Crippen estimate
Polar surface area
111.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1738-87-0
SMILES
CC(C)C[C@H](N=C(O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIKey
UALXQWNUXKECJD-SFHVURJKSA-N
InChI
InChI=1S/C20H22N2O6/c1-14(2)12-18(21-20(24)27-13-15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)/t18-/m0/s1

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Names and synonyms

12 names
  • L-Leucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
  • Leucine, N-carboxy-, N-benzyl p-nitrophenyl ester, L-
  • N-Carbobenzoxy-L-leucine p-nitrophenyl ester
  • p-Nitrophenyl N-(benzyloxycarbonyl)-L-2-aminoisocaproate
  • N-(Benzyloxycarbonyl)-L-leucine p-nitrophenyl ester
  • N-α-Carbobenzoxy-L-leucine p-nitrophenyl ester
  • α-N-Benzyloxycarbonyl-L-leucine p-nitrophenyl ester
  • N-(Benzyloxycarbonyl)leucine p-nitrophenyl ester
  • N-Carbobenzoxyleucine-p-nitrophenyl ester
  • N-(Benzyloxycarbonyl)leucine 4-nitrophenyl ester
  • NSC 139977
  • (4-Nitrophenyl) (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Work with N-[(Phenylmethoxy)carbonyl]-L-leucine 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 ester2578-84-980 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine 4-nitrophenyl ester3556-56-772 % similar N-[(Phenylmethoxy)carbonyl]glycine 4-nitrophenyl ester1738-86-959 % similar N-[(Phenylmethoxy)carbonyl]-L-leucine 2,5-dioxo-1-pyrrolidinyl ester3397-35-158 % similar Benzyloxycarbonyl-L-leucine2018-66-858 % similar Benzyl 4-nitrophenyl carbonate13795-24-953 % similar N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-451 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine 4-nitrophenyl ester4587-33-151 % similar

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

Same formula

Boc-D-phe-ONp16159-70-9 N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-0

Elsewhere

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