chempirical

Tosedostat

C21H30N2O6CAS 238750-77-1406.48 g/mol

Open in Covalent MOL file
OHNOHHOONHOO
AlcoholAmideEster

Properties

Molecular formula
C21H30N2O6
Molar mass
406.48 g/mol
Exact mass
406.2104 Da
logP
1.86Crippen estimate
Polar surface area
125.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
9
Stereocentres
R, S, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
238750-77-1
SMILES
CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC2CCCC2
InChIKey
FWFGIHPGRQZWIW-SQNIBIBYSA-N
InChI
InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1

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

Elsewhere

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