Products 114562-40-2

CAS 114562-40-2 is the registry number for Ferrocin B. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

Ferrocin B is a cyclodepsipeptide.

Source: ChEBI

Identity
Molecular formulaC51H84FeN13O19
Molecular weight1239.1 g/mol
IUPAC nameiron(3+);(Z)-N-[(12S,18S,21R,30S)-6,15,27-tris[3-[acetyl(oxido)amino]propyl]-12,18-bis(hydroxymethyl)-2,5,8,11,17,20,23,26,29-nonaoxo-21-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]dec-3-enamide
InChIKeyNAGWAVXPMGJERZ-TUFURUPOSA-N
SMILESCCCCCC/C=C\CC(=O)N[C@H]1COC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NCC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C(NC1=O)CCCN(C(=O)C)[O-])C(C)C)CO)CCCN(C(=O)C)[O-])CO)CCCN(C(=O)C)[O-].[Fe+3]

Computed by PubChem (NCBI)

Synonyms: Ferrocin B