1-(tert-Butyl) 5-(2,5-dioxopyrrolidin-1-yl) (16-(tert-butoxy)-16-oxohexadecanoyl)-L-glutamate

C33H56N2O9CAS 843666-26-2624.82 g/mol

Open in Covalent MOL file
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AmideEsterLactam

Properties

Molecular formula
C33H56N2O9
Molar mass
624.82 g/mol
Exact mass
624.3986 Da
logP
6.00Crippen estimate
Polar surface area
145.4 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
21
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
843666-26-2
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C
InChIKey
OLPDHJKQJFDVHV-VWLOTQADSA-N
InChI
InChI=1S/C33H56N2O9/c1-32(2,3)42-29(39)20-18-16-14-12-10-8-7-9-11-13-15-17-19-26(36)34-25(31(41)43-33(4,5)6)21-24-30(40)44-35-27(37)22-23-28(35)38/h25H,7-24H2,1-6H3,(H,34,36)/t25-/m0/s1

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Work with 1-(tert-Butyl) 5-(2,5-dioxopyrrolidin-1-yl) (16-(tert-butoxy)-16-oxohexadecanoyl)-L-glutamate

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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