chempirical

4-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate

C19H19NO6CAS 3479-47-8357.36 g/mol

Open in Covalent MOL file
ONHOOOOHO
Carboxylic acidEster

Properties

Molecular formula
C19H19NO6
Molar mass
357.36 g/mol
Exact mass
357.1212 Da
Melting point
103 °C
logP
2.70Crippen estimate
Polar surface area
105.4 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3479-47-8
SMILES
O=C(C[C@H](N=C(O)OCc1ccccc1)C(=O)O)OCc1ccccc1
InChIKey
VUKCNAATVIWRTF-INIZCTEOSA-N
InChI
InChI=1S/C19H19NO6/c21-17(25-12-14-7-3-1-4-8-14)11-16(18(22)23)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,22,23)/t16-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(phenylmethyl) ester
  • Aspartic acid, N-carboxy-, N,4-dibenzyl ester, L-
  • N-Carbobenzoxy-β-benzyl-L-aspartate
  • β-Benzyl-N-(benzyloxycarbonyl)-L-aspartic acid
  • N-Carbobenzoxy-L-aspartic acid 4-benzyl ester
  • N-Carbobenzoxy-L-aspartic acid β-benzyl ester
  • β-Benzyl N-(benzyloxycarbonyl)-L-aspartate
  • N-(Benzyloxycarbonyl)-L-aspartic acid β-benzyl ester
  • N-(Benzyloxycarbonyl)aspartic acid β-benzyl ester
  • NSC 163521
  • Nα-(Benzyloxycarbonyl)-L-aspartic acid 4-benzyl ester
  • (2S)-4-Oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid

Work with 4-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate

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

5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-glutamate5680-86-480 % similar 5-(Phenylmethyl) hydrogen N-[(phenylmethoxy)carbonyl]-D-glutamate59486-73-680 % similar Benzyloxycarbonyl-L-aspartic acid1152-61-077 % similar 4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-877 % similar N-tert-Butoxycarbonyl-L-aspartic acid β-benzyl ester7536-58-577 % similar 4-(Phenylmethyl) hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-D-aspartate150009-58-876 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-374 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-574 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook