Fmoc-chg-oh

C23H25NO4CAS 161321-36-4379.46 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C23H25NO4
Molar mass
379.46 g/mol
Exact mass
379.1784 Da
logP
4.56Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
161321-36-4
SMILES
C1CCC(CC1)[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
BWQQGHPODCJZDB-NRFANRHFSA-N
InChI
InChI=1S/C23H25NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20-21H,1-3,8-9,14H2,(H,24,27)(H,25,26)/t21-/m0/s1

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Work with Fmoc-chg-oh

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-D-chg-oh198543-96-3Enantiomer

Similar compounds

Fmoc-D-valine84624-17-971 % similar Fmoc-3,3-diphenyl-L-alanine201484-50-670 % similar Fmoc-cha-oh135673-97-169 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-269 % similar Fmoc-D-allo-ile-oh118904-37-366 % similar Fmoc-D-ile-oh143688-83-966 % similar (S)-Alpha-Fmoc-D-Boc-4-Piperidylglycine204058-24-265 % similar Fmoc-lys-oh105047-45-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-tranexamic acid167690-53-1 (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-methylhept-6-enoic acid288617-73-2 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-cyclopentylpropanoic acid371770-32-0

Elsewhere

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