Loxistatin
Properties
- Molecular formula
- C17H30N2O5
- Molar mass
- 342.44 g/mol
- Exact mass
- 342.2155 Da
- logP
- 2.69Crippen estimate
- Polar surface area
- 104.0 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 10
- Stereocentres
- S, S, Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
88321-09-9SMILES
CCOC(=O)[C@H]1O[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=NCCC(C)CInChIKey
SRVFFFJZQVENJC-IHRRRGAJSA-NInChI
InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 2-Oxiranecarboxylic acid, 3-[[[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]amino]carbonyl]-, ethyl ester, (2S,3S)-
- Oxiranecarboxylic acid, 3-[[[3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]amino]carbonyl]-, ethyl ester, [2S-[2α,3β(R*)]]-
- Oxiranecarboxylic acid, 3-[[[(1S)-3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]amino]carbonyl]-, ethyl ester, (2S,3S)-
- EP 453
- EST
- E 64d
- E 64c Ethyl ester
- Aloxistatin
- EST (pharmaceutical)
- NSC 694281
- Pepstatin E64d
- E64d/Pepstatin
Work with Loxistatin
Similar compounds
E-64c76684-89-470 % similar
E-6466701-25-546 % similar
3-Carbethoxy-2-piperidone3731-16-645 % similar
Diethyl isobutylmalonate10203-58-442 % similar
Diethyl isoamylmalonate5398-08-340 % similar
L-Pyroglutamic acid ethyl ester7149-65-739 % similar
Leucine ethyl ester hydrochloride2743-40-036 % similar
Diethyl acetamidomalonate1068-90-235 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.