Phallacidinmethylamide structure

Phallacidinmethylamide

2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N-methylacetamide

Also Known As: Phallacidinmethylamide|cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-2-amino-3-methylamido-propanedioyl-L-cysteinyl-cis-4-hydroxy-L-prolyl)cyclic (2-6)-sulfide

CAS: 58286-49-0
Molecular Formula C38H53N9O12S
Molecular Weight 859.35345 g/mol
LogP -4.3835
Topological Polar Surface Area 320.72 Ų
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 13
Rotatable Bonds 6
Exact Mass 859.35345
Monoisotopic Mass 859.35345
Heavy Atoms 60
Complexity 2009.2189

Chemical Identifiers

CAS Number 58286-49-0
SMILES CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C(C)C)C(C(=O)NC)O

Product Overview

Phallacidinmethylamide (CAS 58286-49-0), with molecular formula C38H53N9O12S and molecular weight 859.35345 g/mol. IUPAC: 2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N-methylacetamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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