Basic information
- CAS
11006-42-1- Standard SMILES
CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C2CSSCC(NC1=O)C(=O)N2- InChIKey
RNCGDQLZIATDOU-UHFFFAOYSA-N- Molecular formula
- C23H39N5O5S2
- Average molar mass
- 529.7 g/mol
- Monoisotopic mass
- 529.23926171
Overview
Malformin is a cyclic peptide.
Names & identifiers
- Preferred name
- Malformins
- IUPAC
- 4-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone
Names & synonyms
3022-92-2MalforminsRefChem:925231cyclic(Cys-Cys-Val-Leu-Ile)cyclic(1-2)-disulfideMALFORMIN AMalformin A1MalforminNSC3246464-butan-2-yl-7-(2-methylpropyl)-10-propan-2-yl-15,16-dithia-2,5,8,11,19-pentazabicyclo[11.4.2]nonadecane-3,6,9,12,18-pentone53571-13-4NSC 324646Malformin-A1; Malformin-A
Show more names
orb1693688CHEMBL1987208SCHEMBL30062087DTXSID60911481CHEBI:193906DAA02292HB3965AKOS030213204
Database identifiers
- CAS
11006-42-1、3022-92-2、53571-13-4- PubChem CID
- 4005
- DTXSID
DTXSID60911481- ChEMBL
CHEMBL1987208- ChEBI
CHEBI:193906- EC Number
- 636-886-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 809
Experimental & physicochemical properties
Melting Point0 °C
Physical DescriptionLiquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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