chempirical

N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine

C18H26N2O6CAS 2480-93-5366.41 g/mol

Open in Covalent MOL file
OONHNHOOOHO
Carboxylic acid

Properties

Molecular formula
C18H26N2O6
Molar mass
366.41 g/mol
Exact mass
366.1791 Da
logP
3.08Crippen estimate
Polar surface area
120.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
8
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2480-93-5
SMILES
CC(C)(C)OC(O)=N[C@@H](CCCN=C(O)OCc1ccccc1)C(=O)O
InChIKey
QYYCZJUFHDLLOJ-AWEZNQCLSA-N
InChI
InChI=1S/C18H26N2O6/c1-18(2,3)26-17(24)20-14(15(21)22)10-7-11-19-16(23)25-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/t14-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-
  • Ornithine, N2,N5-dicarboxy-, N5-benzyl N2-tert-butyl ester, L-
  • Ornithine, N2,N5-dicarboxy-, N5-benzyl N2-tert-butyl ester
  • N2-(tert-Butoxycarbonyl)-N5-(benzyloxycarbonyl)-L-ornithine
  • NSC 333494
  • N-α-tert-Butoxycarbonyl-N-δ-benzyloxycarbonyl-L-ornithine
  • (S)-5-[(Benzyloxycarbonyl)amino]-2-(tert-butoxycarbonylamino)pentanoic acid
  • Boc-L-orn(cbz)OH
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoic acid

Work with N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine

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

N2-[(1,1-Dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine2389-45-994 % similar N6-[(1,1-Dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysine2389-60-887 % similar Nα-tert-Butoxycarbonyl-Nε-benzyloxycarbonyl-L-lysine compound with dicyclohexylamine (1:1)16948-04-286 % similar D-Lysine, N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)76477-42-486 % similar L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)2212-76-280 % similar 5-(Phenylmethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13574-13-576 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-075 % similar L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-, compd. with N-cyclohexylcyclohexanamine (1:1)65710-58-973 % similar

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

Same formula

N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-D-ornithine16937-92-1 Atropine methyl nitrate52-88-0

Elsewhere

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