L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine

HCID 439487
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Basic information

CAS
66701-25-5
Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N
InChIKey
LTLYEAJONXGNFG-HBNTYKKESA-N
Molecular formula
C15H27N5O5
Average molar mass
357.41 g/mol
Monoisotopic mass
357.20121896

Names & identifiers

Preferred name
L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine
IUPAC
(2R,3R)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Names & synonyms

L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatineRefChem:798150613-978-4e-64trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butaneMLS000069547CHEMBL1458713(2R,3R)-3-[[(2S)-1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acidSMR000058838(2R,3R)-3-[[(1S)-1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylic acidC15H27N5O5Lopac-E-3132
Show more names
E-64, protease inhibitorMLS002153455SCHEMBL871993cid_439487SCHEMBL13523481BDBM12042BDBM35493LTLYEAJONXGNFG-HBNTYKKESA-N

Database identifiers

CAS
66701-25-5
PubChem CID
439487
DTXSID
DTXSID90985271
ChEMBL
CHEMBL1458713、CHEMBL374508
EC Number
613-978-4

Properties

Computed structural propertiesFilling in

XLogP
-0.9
Topological polar surface area
172 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
25

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H371 (25%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]

P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSTOT SE 2 (25%)

Related reactions

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Compound notes

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