Z-Ndelta-Boc-L-ornithine

C₁₈H₂₆N₂O₆CAS 7733-29-1366.41 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₈H₂₆N₂O₆
Molar mass: 366.41 g/mol
Exact mass: 366.1791 Da
logP: 2.67Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7733-29-1

SMILES

CC(C)(C)OC(=O)NCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChIKey

RWQCKACYKKSOKK-AWEZNQCLSA-N

InChI

InChI=1S/C18H26N2O6/c1-18(2,3)26-16(23)19-11-7-10-14(15(21)22)20-17(24)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

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Names and synonyms

1 names

Z-Orn(boc)-oh

Work with Z-Ndelta-Boc-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

L-N-Cbz-3-N-boc-amino-alanine16947-84-578 % similar Boc-D-dab(Z)-oh dcha101854-42-676 % similar Z-D-Glu(otbu)-oh51644-83-875 % similar Z-D-Asp(OtBu)-OH71449-08-673 % similar Boc-D-glutamic acid 5-benzyl ester35793-73-872 % similar Fmoc-D-orn(boc)-oh118476-89-472 % similar Boc-dap(Z)-oh65710-57-871 % similar Boc-orn(boc)-oh57133-29-671 % 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 N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[(phenylmethoxy)carbonyl]-L-ornithine2480-93-5 Atropine methyl nitrate52-88-0

Elsewhere

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