chempirical

Collagenase from Clostridium histolyticum

C60H100N2CAS 9001-12-1849.47 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C60H100N2
Molar mass
849.47 g/mol
Exact mass
848.7887 Da
logP
17.47Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14
Stereocentres
S, S, R, S, S, S, S, S, S, 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
9001-12-1
SMILES
CCCCCCCC[C@H]1CC[C@@]2([C@@]1(CC[C@]3(C2CC[C@@]4([C@@]3(CC5=C(C4)N=C6C[C@]7([C@@](CCC8[C@@]7(CC[C@]9([C@]8(CC[C@@H]9CCCCCCCC)C)C)C)(CC6=N5)C)C)C)C)C)C)C
InChIKey
YRQNKMKHABXEJZ-UVQQGXFZSA-N
InChI
InChI=1S/C60H100N2/c1-13-15-17-19-21-23-25-43-27-33-55(7)49-29-31-51(3)39-45-47(41-59(51,11)57(49,9)37-35-53(43,55)5)61-46-40-52(4)32-30-50-56(8)34-28-44(26-24-22-20-18-16-14-2)54(56,6)36-38-58(50,10)60(52,12)42-48(46)62-45/h43-44,49-50H,13-42H2,1-12H3/t43-,44-,49?,50?,51-,52-,53+,54+,55-,56-,57-,58-,59-,60-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Collagenase
  • Collagenase A
  • Collagen peptidase
  • Collagen protease
  • Nucleolysin
  • Soycollagestin
  • Metallocollagenase
  • Collagenase type I
  • Collagenase type 1
  • Collagenase I
  • Collagenase 1
  • Morikraz
  • Matrix metalloprotease MMP-ABT
  • Euphaulysin
  • Collagenolytic enzymes
  • Endoenzymes, collagenolytic
  • Enzymes, collagen-degrading
  • Collalitine
  • Collalatine
  • Collagenase type A
  • Preprocollagenase

Work with Collagenase from Clostridium histolyticum

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

Elsewhere

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