Boc-orn(2-cl-Z)-oh

C18H25ClN2O6CAS 118554-00-0400.86 g/mol

Open in Covalent MOL file
OONHNHOOClOHO
Aryl halideCarbamateCarboxylic acid

Properties

Molecular formula
C18H25ClN2O6
Molar mass
400.86 g/mol
Exact mass
400.1401 Da
logP
3.32Crippen estimate
Polar surface area
114.0 Ų
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.

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Identifiers

CAS number
118554-00-0
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1=CC=CC=C1Cl)C(=O)O
InChIKey
QOWSQCSRXFQXKJ-AWEZNQCLSA-N
InChI
InChI=1S/C18H25ClN2O6/c1-18(2,3)27-17(25)21-14(15(22)23)9-6-10-20-16(24)26-11-12-7-4-5-8-13(12)19/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t14-/m0/s1

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Work with Boc-orn(2-cl-Z)-oh

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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