chempirical

Z-Asn(trt)-oh

C31H28N2O5CAS 132388-57-9508.57 g/mol

Open in Covalent MOL file
OONHONHOHO
AmideCarbamateCarboxylic acid

Properties

Molecular formula
C31H28N2O5
Molar mass
508.57 g/mol
Exact mass
508.1998 Da
logP
4.86Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
132388-57-9
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChIKey
FPVBKISSJULIGI-MHZLTWQESA-N
InChI
InChI=1S/C31H28N2O5/c34-28(21-27(29(35)36)32-30(37)38-22-23-13-5-1-6-14-23)33-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,32,37)(H,33,34)(H,35,36)/t27-/m0/s1

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

Work with Z-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

Boc-N-beta-trityl-L-asparagine132388-68-269 % similar Z-D-Gln-oh13139-52-159 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-750 % similar Fmoc-D-lys(Z)-oh110990-07-349 % similar Boc-D-dab(Z)-oh dcha101854-42-648 % similar Fmoc-L-homophenylalanine132684-59-447 % similar Boc-L-homophenylalanine100564-78-147 % similar (R)-Benzyl (5-oxotetrahydrofuran-3-yl)carbamate118399-28-347 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook