Phallacidin, 3-(4-hydroxy-L-leucine)- structure

Phallacidin, 3-(4-hydroxy-L-leucine)-

2-hydroxy-2-[18-hydroxy-28-(2-hydroxy-2-methylpropyl)-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]acetic acid

Also Known As: Phallacin|Phallacidin, 3-(4-hydroxy-L-leucine)-

CAS: 53568-40-4
Molecular Formula C37H50N8O12S
Molecular Weight 830.3269 g/mol
LogP -0.5
Topological Polar Surface Area 334.0 Ų
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 13
Rotatable Bonds 5
Exact Mass 830.3269
Monoisotopic Mass 830.3269
Heavy Atoms 58
Complexity 1630.0

Chemical Identifiers

CAS Number 53568-40-4
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)(C)O)C(C)C)C(C(=O)O)O
InChIKey LAVFLHFIXHMDLZ-UHFFFAOYSA-N

Product Overview

Phallacidin, 3-(4-hydroxy-L-leucine)- (CAS 53568-40-4), with molecular formula C37H50N8O12S and molecular weight 830.3269 g/mol. IUPAC: 2-hydroxy-2-[18-hydroxy-28-(2-hydroxy-2-methylpropyl)-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]acetic acid.

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