Boc-L-beta-homotryptophan

C17H22N2O4CAS 229639-48-9318.37 g/mol

Open in Covalent MOL file
OONHNHOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C17H22N2O4
Molar mass
318.37 g/mol
Exact mass
318.1580 Da
logP
3.08Crippen estimate
Polar surface area
91.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
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
229639-48-9
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)CC(=O)O
InChIKey
TUZZBYOOQVPWSG-LBPRGKRZSA-N
InChI
InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)19-12(9-15(20)21)8-11-10-18-14-7-5-4-6-13(11)14/h4-7,10,12,18H,8-9H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1

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Work with Boc-L-beta-homotryptophan

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

Boc-D-tryptophanol158932-00-476 % similar Boc-(S)-3-amino-4-(1-naphthyl)-butyric acid219297-09-371 % similar Boc-(R)-3-amino-4-(3-benzothienyl)-butyric acid190190-48-867 % similar Boc-(S)-3-amino-4-(3-benzothienyl)-butyric acid270063-45-167 % similar (S)-3-(Boc-amino)-4-phenylbutyric acid51871-62-667 % similar Boc-(R)-3-amino-4-(2-chloro-phenyl)-butyric acid218608-93-666 % similar Boc-(S)-3-Amino-4-(2-chlorophenyl)butyric acid218608-95-866 % similar Boc-(S)-3-amino-4-(2-trifluoromethyl-phenyl)-butyric acid270065-74-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Phenylacetyl)-L-prolylglycine ethy ester157115-85-0 Boc-trp-ome33900-28-6 Imiprothrin72963-72-5

Elsewhere

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