chempirical

Aspergillopepsin I

C68H99N3O32CAS 9025-49-41470.53 g/mol

Open in Covalent MOL file
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AcetalAlcoholAlkeneEsterEtherTertiary amine

Properties

Molecular formula
C68H99N3O32
Molar mass
1470.53 g/mol
Exact mass
1469.6212 Da
logP
2.44Crippen estimate
Polar surface area
462.3 Ų
H-bond donors / acceptors
4 / 34
Rotatable bonds
36

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
9025-49-4
SMILES
CC1=C(OC(=C)O1)COC(=O)C(C(C)(C)COC(=O)C=CC(=O)OC)O.CC(C)C(=O)OCOC(=O)C(C(C)(C)COC(=O)C=CC(=O)OC)O.CC(C)(COC(=O)C=CC(=O)OC)C(C(=O)OCCCN1C=CN=C1)O.CC(C)(COC(=O)C=CC(=O)OC)C(C(=O)OCCN1CCCCC1)O
InChIKey
RUWHAENIXFIHPU-UHFFFAOYSA-N
InChI
InChI=1S/C18H29NO7.C17H24N2O7.C17H22O9.C16H24O9/c1-18(2,13-26-15(21)8-7-14(20)24-3)16(22)17(23)25-12-11-19-9-5-4-6-10-19;1-17(2,11-26-14(21)6-5-13(20)24-3)15(22)16(23)25-10-4-8-19-9-7-18-12-19;1-10-12(26-11(2)25-10)8-23-16(21)15(20)17(3,4)9-24-14(19)7-6-13(18)22-5;1-10(2)14(20)24-9-25-15(21)13(19)16(3,4)8-23-12(18)7-6-11(17)22-5/h7-8,16,22H,4-6,9-13H2,1-3H3;5-7,9,12,15,22H,4,8,10-11H2,1-3H3;6-7,15,20H,2,8-9H2,1,3-5H3;6-7,10,13,19H,8-9H2,1-5H3

Weigh it out

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

Names and synonyms

66 names · show all
  • Proteinase, Aspergillus acid
  • Aspergillus acid proteinase
  • Aspergillussaitoi acid proteinase
  • Aspergillopeptidase A
  • Trypsinogen kinase
  • E.C. 3.4.23.6
  • E.C. 3.4.4.17
  • Denapsin
  • Proctase
  • EC 3.4.23.6
  • EC 3.4.4.17
  • Molsin
  • Proctase P
  • Proteinase, Aspergillusawamori acid
  • Proteinase, Aspergillussaitoi acid
  • Awamorin
  • Avamorin
  • Aspergillopepsin A
  • Aspergillus acid protease
  • Aspergillus awamori acid proteinase
  • Aspergillus carboxyl proteinase
  • Aspergillus niger acid proteinase
  • Aspergillus aspartic proteinase
  • Denapsin XP 271
  • E.C. 3.4.23.18
  • EC 3.4.23.18
  • Proteinase, Aspergillus kawachii aspartic
  • Sumizyme AP
  • Protease A
  • Aspergillus niger acid protease
  • Aspergillopepsin F
  • Aspergillopepsin B
  • Orientase 5A
  • Aspergilloglutamic peptidase
  • Bioprotease P conc.
  • Aspergillopepsin
  • Validase AFP
  • Genencor AFP 1000A
  • Aspergillus oryzae acid protease
  • Proteinase M amano G
  • Proteinase M amano
  • Aspergillus saitoi acid protease
  • Protease A 2
  • Aspergillus awamori acid protease
  • Orientase 20A
  • Orientase AY
  • Fungal acid protease
  • Aspergillus-derived protease type-XIII
  • Type-XIII protease
  • Protease type-XIII
  • Amano 2G
  • PepA
  • Proteins, PepA
  • Aspartic protease pepA
  • Proctase B
  • Aspergillus acid proteases
  • Aspergillopeptidases
  • Aspergillopepsins
  • Aspergillus saitoi acid proteases
  • Aspergillus awamori acid proteinases
  • Aspergillus aspartic proteinases
  • Fungal acid proteases
  • Avamorins
  • Promod 192P
  • Promod 192
  • Acidic protease

Work with Aspergillopepsin I

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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