Fmoc-D-phe(4-NHBoc)-OH

C₂₉H₃₀N₂O₆CAS 214750-77-3502.57 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₉H₃₀N₂O₆
Molar mass: 502.57 g/mol
Exact mass: 502.2104 Da
logP: 5.57Crippen estimate
Polar surface area: 114.0 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

214750-77-3

SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

KVUAOWDVYMUKPE-RUZDIDTESA-N

InChI

InChI=1S/C29H30N2O6/c1-29(2,3)37-28(35)30-19-14-12-18(13-15-19)16-25(26(32)33)31-27(34)36-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m1/s1

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Names and synonyms

1 names

Boc-D-phe(4-nhboc)-oh

Work with Fmoc-D-phe(4-NHBoc)-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-P-carboxy-phe(otbu)-oh183070-44-277 % similar Fmoc-4-[2-(boc-amino)ethoxy]-L-phenylalanine1013883-02-773 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-070 % similar Fmoc-D-dap(boc)-oh198544-42-270 % similar Fmoc-L-4-methylphe199006-54-770 % similar Fmoc-D-4-methylphe204260-38-870 % similar Fmoc-D-tyr-oh112883-29-169 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-369 % similar

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

Same formula

Fmoc-D-lys(Z)-oh110990-07-3 (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-5 Boc-D-phe(4-nhfmoc)-oh173054-11-0

Elsewhere

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