(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid

C₂₅H₂₉NO₆CAS 159751-47-0439.51 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₅H₂₉NO₆
Molar mass: 439.51 g/mol
Exact mass: 439.1995 Da
logP: 4.49Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

159751-47-0

SMILES

CC(C)(C)OC(=O)CCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

FFLAQPKWVSSKJC-NRFANRHFSA-N

InChI

InChI=1S/C25H29NO6/c1-25(2,3)32-22(27)14-8-13-21(23(28)29)26-24(30)31-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1

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Names and synonyms

1 names

Fmoc-aad(otbu)-oh

Work with (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoic acid

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-D-aspartic acid beta-tert-butyl ester112883-39-382 % similar Boc-glu(ofm)-oh123417-18-581 % similar Fmoc-Cys(tert-butoxycarnylpropyl)-OH102971-73-380 % similar Fmoc-D-orn(boc)-oh118476-89-478 % similar Boc-asp(ofm)-oh117014-32-175 % similar Fmoc-dab(boc)-oh125238-99-575 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-573 % similar Fmoc-D-nle-oh112883-41-771 % similar

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

Same formula

Fmoc-asp(ompe)-oh180675-08-5 Fmoc-N-methyl-L-glutamic acid 5-tert-butyl ester200616-40-6

Elsewhere

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