Boc-D-asn(trt)-oh

C₂₈H₃₀N₂O₅CAS 210529-01-4474.56 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₈H₃₀N₂O₅
Molar mass: 474.56 g/mol
Exact mass: 474.2155 Da
logP: 4.46Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

210529-01-4

SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChIKey

PYGOCFDOBSXROC-HSZRJFAPSA-N

InChI

InChI=1S/C28H30N2O5/c1-27(2,3)35-26(34)29-23(25(32)33)19-24(31)30-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t23-/m1/s1

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Work with Boc-D-asn(trt)-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

Z-Asn(trt)-oh132388-57-969 % similar Boc-L-homophenylalanine100564-78-165 % similar Boc-D-4,4'-biphenylalanine128779-47-561 % similar Boc-L-4,4'-biphenylalanine147923-08-861 % similar Boc-D-cys(bzl)-oh102830-49-960 % similar Boc-D-bpa-oh117666-94-158 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-057 % similar Boc-3-methyl-L-phenylalanine114873-06-256 % similar

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

Same formula

Boc-N-beta-trityl-L-asparagine132388-68-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook