Fmoc-D-4-methoxyphe

C₂₅H₂₃NO₅CAS 201335-88-8417.46 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₅H₂₃NO₅
Molar mass: 417.46 g/mol
Exact mass: 417.1576 Da
logP: 4.23Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

201335-88-8

SMILES

COC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

JYQODLWFOPCSCS-HSZRJFAPSA-N

InChI

InChI=1S/C25H23NO5/c1-30-17-12-10-16(11-13-17)14-23(24(27)28)26-25(29)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1

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Names and synonyms

1 names

(2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-methoxyphenyl)propanoic acid

Work with Fmoc-D-4-methoxyphe

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.

N-Alpha-(9-Fluorenylmethyloxycarbonyl)-O-methyl-L-tyrosine77128-72-4Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-778 % similar Fmoc-D-phenylalanine86123-10-678 % similar Fmoc-L-4-methylphe199006-54-778 % similar Fmoc-D-4-methylphe204260-38-878 % similar N-Fmoc-S-(4-methoxybenzyl)-L-cysteine141892-41-378 % similar N-9-Fluorenylmethoxycarbonyl-se-4-methoxybenzylselenocysteine150308-80-878 % similar Fmoc-D-tyr-oh112883-29-177 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-977 % similar

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

Same formula

Fmoc-homo-L-tyrosine198560-10-0 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid246539-83-3 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-serine phenylmethyl ester73724-46-6 Fmoc-O-benzyl-L-serine83792-48-7

Elsewhere

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