chempirical

E-64

C15H27N5O5CAS 66701-25-5357.41 g/mol

Open in Covalent MOL file
NHOOOOHONHNHNHNH2
Carboxylic acidEpoxideEtherGuanidine

Properties

Molecular formula
C15H27N5O5
Molar mass
357.41 g/mol
Exact mass
357.2012 Da
logP
0.43Crippen estimate
Polar surface area
176.9 Ų
H-bond donors / acceptors
6 / 5
Rotatable bonds
11
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
66701-25-5
SMILES
CC(C)C[C@H](N=C(O)[C@H]1O[C@@H]1C(=O)O)C(O)=NCCCCNC(=N)N
InChIKey
LTLYEAJONXGNFG-DCAQKATOSA-N
InChI
InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 2-Oxiranecarboxylic acid, 3-[[[(1S)-1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)-
  • Oxiranecarboxylic acid, 3-[[[1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, [2S-[2α,3β(R*)]]-
  • Oxiranecarboxylic acid, 3-[[[(1S)-1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-, (2S,3S)-
  • (2S,3S)-3-[[[(1S)-1-[[[4-[(Aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-2-oxiranecarboxylic acid
  • Proteinase inhibitor E 64
  • E 64 (Proteinase inhibitor)
  • E 64
  • trans-Epoxysuccinyl-L-leucylamido-(4-guanidino)butane

Work with E-64

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

Similar compounds

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

Elsewhere

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