(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(((4-Methoxyphenyl)diphenylmethyl)amino)hexanoic acid

C₄₁H₄₀N₂O₅CAS 159857-60-0640.78 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether Secondary amine

Properties

Molecular formula: C₄₁H₄₀N₂O₅
Molar mass: 640.78 g/mol
Exact mass: 640.2937 Da
logP: 7.74Crippen estimate
Polar surface area: 96.9 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 14
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

159857-60-0

SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChIKey

CTYHQVFFQRDJSN-LHEWISCISA-N

InChI

InChI=1S/C41H40N2O5/c1-47-32-25-23-31(24-26-32)41(29-14-4-2-5-15-29,30-16-6-3-7-17-30)42-27-13-12-22-38(39(44)45)43-40(46)48-28-37-35-20-10-8-18-33(35)34-19-9-11-21-36(34)37/h2-11,14-21,23-26,37-38,42H,12-13,22,27-28H2,1H3,(H,43,46)(H,44,45)/t38-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

N-Alpha-fmoc-N-epsilon-4-methoxytrityl-L-lysine

Work with (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(((4-Methoxyphenyl)diphenylmethyl)amino)hexanoic 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-lys(Z)-oh110990-07-361 % similar Fmoc-lys-oh105047-45-860 % similar Fmoc-homoser(trt)-oh111061-55-359 % similar Fmoc-asp(ochex)-oh130304-80-259 % similar Fmoc-D-orn(boc)-oh118476-89-458 % similar Fmoc-L-homophenylalanine132684-59-458 % similar Nalpha-fmoc-L-lysine hydrochloride139262-23-057 % similar Fmoc-D-lys-oh hcl201002-47-357 % similar

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

Elsewhere

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