Virginiamycin S3 structure

Virginiamycin S3

N-(3-benzyl-12-ethyl-25-hydroxy-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide

Also Known As: Virginiamycin S3|Staphylomycin S3|Virginiamycin S1, 5-(5-hydroxy-4-oxo-L-2-piperidinecarboxylic acid)-|N-(22-Benzyl-6-ethyl-18-hydroxy-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl)-3-hydroxy-2-pyridinecarbo #

CAS: 33477-39-3
Molecular Formula C43H49N7O11
Molecular Weight 839.349 g/mol
LogP 2.2
Topological Polar Surface Area 245.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 12
Rotatable Bonds 6
Exact Mass 839.349
Monoisotopic Mass 839.349
Heavy Atoms 61
Complexity 1650.0

Chemical Identifiers

CAS Number 33477-39-3
SMILES CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)O)CC6=CC=CC=C6)C
InChIKey AVCLYXFQZNDKMW-UHFFFAOYSA-N

Product Overview

Virginiamycin S3 (CAS 33477-39-3), with molecular formula C43H49N7O11 and molecular weight 839.349 g/mol. IUPAC: N-(3-benzyl-12-ethyl-25-hydroxy-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide.

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