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E-64

CAT: 0926-IES-4096-VSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-IES-4096-VSize:0.5 mg
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CAS Number
66701-25-5
Synonyms
[ (2S,3S) -3-Carboxyoxirane-2-carbonyl]-L-leucine (4-guanidinobutyl) amide; L-trans-Epoxysuccinyl-Leu-4-guanidinobutylamide; L-trans-Ep oxysuccinyl-Leu-agmatine
Smiles
CC (C) CC (C (=O) NCCCCN=C (N) N) NC (=O) C1C (O1) C (=O) O
Molecular Formula
C15H27N5O5
Molecular Weight
357.41 g/mol
Controlled
No

Chemical Information

trans-Epoxysuccinyl-L-leucylamido-(4-guanidino)butane

E64 is an epoxy monocarboxylic acid, a member of guanidines, a L-leucine derivative and a dicarboxylic acid monoamide. It has a role as an antiparasitic agent, a protease inhibitor and an antimalarial. It is a tautomer of an E64 zwitterion.

CAS Number66701-25-5
PubChem CID123985
IUPAC Name(2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
Molecular FormulaC15H27N5O5
Molecular Weight357.41
XLogP-0.9
Topological Polar Surface Area172
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity518
SMILES
CC(C)C[C@@H](C(=O)NCCCCN=C(N)N)NC(=O)[C@@H]1[C@H](O1)C(=O)O
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
InChIKey
LTLYEAJONXGNFG-DCAQKATOSA-N
Chemical Structure
2D Structure
2D structure of trans-Epoxysuccinyl-L-leucylamido-(4-guanidino)butane
CAS: 66701-25-5
CID: 123985
Formula: C15H27N5O5
MW: 357.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.41
XLogP3-0.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass357.20121898
Monoisotopic Mass357.20121898
Topological Polar Surface Area172 Ų
Heavy Atom Count25
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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