Fmoc-ala-ser(yme,mepro)-oh

C₂₄H₂₆N₂O₆CAS 252554-78-2438.48 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₄H₂₆N₂O₆
Molar mass: 438.48 g/mol
Exact mass: 438.1791 Da
logP: 2.96Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

252554-78-2

SMILES

C[C@@H](C(=O)N1[C@@H](COC1(C)C)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

QMRGOZHWQFEGGB-XOBRGWDASA-N

InChI

InChI=1S/C24H26N2O6/c1-14(21(27)26-20(22(28)29)13-32-24(26,2)3)25-23(30)31-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,25,30)(H,28,29)/t14-,20-/m0/s1

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Names and synonyms

1 names

(4S)-3-((2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)propanoyl)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

Work with Fmoc-ala-ser(yme,mepro)-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

Similar compounds

Fmoc-val-ser(psime,mepro)-oh186023-49-481 % similar Fmoc-ser(tbu)-ser(psime,mepro)-oh1000164-43-177 % similar Fmoc-phe-ser(psime,mepro)-oh878797-01-475 % similar (4S,5R)-3-(Fmoc-ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid252554-79-372 % similar Fmoc-Glu(OtBu)-Ser(Psi(Me,Me)pro)-OH909115-33-969 % similar Fmoc-Gln(Trt)-Ser(Psi(Me,Me)pro)-OH1821378-64-667 % similar Fmoc-lys(boc)-ser(psime,mepro)-oh957780-54-066 % similar Fmoc-ala-ala-oh87512-31-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-gly-thr(psi me,me pro)-oh1262308-49-5 Fmoc-orn(aloc)-oh147290-11-7

Elsewhere

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