chempirical

N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-alanine

C14H18N2O5CAS 16012-70-7294.31 g/mol

Open in Covalent MOL file
NHONHOOOHO
Carboxylic acid

Properties

Molecular formula
C14H18N2O5
Molar mass
294.31 g/mol
Exact mass
294.1216 Da
Melting point
136–140 °C
logP
1.94Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
16012-70-7
SMILES
C[C@H](N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O
InChIKey
JBGCVTHXXTVYIP-UWVGGRQHSA-N
InChI
InChI=1S/C14H18N2O5/c1-9(12(17)15-10(2)13(18)19)16-14(20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)/t9-,10-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Alanine, N-[(phenylmethoxy)carbonyl]-L-alanyl-
  • Alanine, N-(N-carboxy-L-alanyl)-, N-benzyl ester, L-
  • L-Alanine, N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-
  • Alanine, N-(N-carboxyalanyl)-, N-benzyl ester
  • N-(Benzyloxycarbonyl)-L-alanyl-L-alanine
  • Benzyloxycarbonyl-L-alanyl-L-alanine
  • N-(Benzyloxycarbonyl)alanylalanine

Work with N-[(Phenylmethoxy)carbonyl]-L-alanyl-L-alanine

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-alanine1142-20-788 % similar N-(Benzyloxycarbonyl)-dl-alanine4132-86-988 % similar Benzyloxycarbonyl-L-valine1149-26-465 % similar N-(Benzyloxycarbonyl)-dl-valine3588-63-465 % similar Z-Thr-oh19728-63-362 % similar Benzyloxycarbonyl-L-leucine2018-66-862 % similar N-[(Phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-serine20806-43-361 % similar (2S)-2-[[(Phenylmethoxy)carbonyl]amino]butanoic acid42918-86-561 % similar

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

Same formula

6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one179688-29-0 Aspartame22839-47-0 Musk ketone81-14-1

Elsewhere

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