11-Oxoaerothionin

(6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

Also Known As: 11-Oxoaerothionin|14-Morpholinodaunorubicin|KST-1A8137|(10r,10'r)-n,n'-(2-oxobutane-1,4-diyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)|(6R)-7,9-dibromo-N-[4-[[(6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide|(10R)-7,9-dibromo-N-[4-[[(10R)-7,9-dibromo-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carbonyl]amino]-3-oxobutyl]-10-hydroxy-8-methoxy-4-oxa-3-azaspiro[4.5]deca-2,6,8-triene-2-carboxamide|1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N,N'-(2-oxo-1,4-butanediyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-, (3(5'R*,10'S*),5alpha,10beta)-(+)-|5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-8-(4-morpholinylacetyl)-, (8S-cis)-|5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-8-(4-morpholinylacetyl)-6,8,11-trihydroxy-, (8S-cis)-|N,N'-(2-Oxobutane-1,4-diyl)bis(7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide)

Molecular Formula	C24H24Br4N4O9
Molecular Weight	827.8277 g/mol
LogP	2.02
Topological Polar Surface Area	177.37 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	831.8236
Heavy Atoms	41
Complexity	1358.0

Chemical Identifiers

CAS Number	73622-23-8
SMILES	COC1=C([C@@H](C2(CC(=NO2)C(=O)NCCC(=O)CNC(=O)C3=NOC4(C3)C=C(C(=C([C@@H]4O)Br)OC)Br)C=C1Br)O)Br