Fmoc-gla(otbu)2-oh

C₂₉H₃₅NO₈CAS 111662-64-7525.60 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₂₉H₃₅NO₈
Molar mass: 525.60 g/mol
Exact mass: 525.2363 Da
logP: 4.67Crippen estimate
Polar surface area: 128.2 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 8
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

111662-64-7

SMILES

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

InChIKey

XJRUHYXXHXECDI-QHCPKHFHSA-N

InChI

InChI=1S/C29H35NO8/c1-28(2,3)37-25(33)21(26(34)38-29(4,5)6)15-23(24(31)32)30-27(35)36-16-22-19-13-9-7-11-17(19)18-12-8-10-14-20(18)22/h7-14,21-23H,15-16H2,1-6H3,(H,30,35)(H,31,32)/t23-/m0/s1

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Names and synonyms

1 names

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-4-(tert-butoxycarbonyl)-5-oxopentanoic acid

Work with Fmoc-gla(otbu)2-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-D-aspartic acid beta-tert-butyl ester112883-39-374 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-171 % similar Boc-asp(ofm)-oh117014-32-171 % similar Boc-dap(fmoc)-oh122235-70-571 % similar Nalpha-fmoc-L-serine tert-butyl ester110797-35-870 % similar Fmoc-dab(boc)-oh125238-99-570 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-969 % similar Boc-L-2,4-diaminobutyric acid(fmoc)117106-21-568 % similar

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

Elsewhere

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