chempirical

Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-

C21H25NO4CAS 190190-50-2355.43 g/mol

Open in Covalent MOL file
OOHNOOH
Carboxylic acid

Properties

Molecular formula
C21H25NO4
Molar mass
355.43 g/mol
Exact mass
355.1784 Da
logP
4.39Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
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
190190-50-2
SMILES
CC(C)(C)OC(O)=N[C@@H](CC(=O)O)C(c1ccccc1)c1ccccc1
InChIKey
YLGVWWIOFMUJSK-KRWDZBQOSA-N
InChI
InChI=1S/C21H25NO4/c1-21(2,3)26-20(25)22-17(14-18(23)24)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17,19H,14H2,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1

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Work with Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-

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Similar compounds

β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-874 % similar 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-970 % similar (3R)-3-(((tert-Butoxy)carbonyl)amino)-4-phenylbutanoic acid101555-61-764 % similar (betaR)-beta-(((1,1-Dimethylethoxy)carbonyl)amino)benzenepentanoic acid218608-83-463 % similar (S)-3-((tert-Butoxycarbonyl)amino)-5-phenylpentanoic acid218608-84-563 % similar (3S)-4-(Benzyloxy)-3-(((tert-butoxy)carbonyl)amino)-4-oxobutanoic acid30925-18-961 % similar β-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-fluorobenzenepropanoic acid284493-59-059 % similar (3S)-3-(((tert-Butoxy)carbonyl)amino)-3-(4-fluorophenyl)propanoic acid479064-88-558 % similar

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

Same formula

(±)-Tetrahydropalmatine10097-84-4 Rotundine2934-97-6 D-Tetrahydropalmatine3520-14-7 (+)-Glaucine475-81-0 (-)-Tetrahydropalmatine483-14-7

Elsewhere

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