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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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