1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan

C₃₁H₃₀N₂O₆CAS 163619-04-3526.59 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₃₁H₃₀N₂O₆
Molar mass: 526.59 g/mol
Exact mass: 526.2104 Da
logP: 5.96Crippen estimate
Polar surface area: 106.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

163619-04-3

SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChIKey

ADOHASQZJSJZBT-AREMUKBSSA-N

InChI

InChI=1S/C31H30N2O6/c1-31(2,3)39-30(37)33-17-19(20-10-8-9-15-27(20)33)16-26(28(34)35)32-29(36)38-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,32,36)(H,34,35)/t26-/m1/s1

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Names and synonyms

1 names

Fmoc-D-trp(boc)-oh

Work with 1-(tert-Butoxycarbonyl)-N-(((9H-fluoren-9-yl)methoxy)carbonyl)-D-tryptophan

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 ester112883-39-362 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-561 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid118488-18-961 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-160 % similar Boc-asp(ofm)-oh117014-32-159 % similar Boc-dap(fmoc)-oh122235-70-559 % similar 1-[(1,1-Dimethylethoxy)carbonyl]-L-tryptophan146645-63-859 % similar Fmoc-gla(otbu)2-oh111662-64-759 % similar

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

Same formula

Fmoc-L-trp(boc)-oh143824-78-6

Elsewhere

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