(5S,9R,10R)-7,9-dibromo-N-[(2R)-2-{3,5-dibromo-4-[(2R)-3-{[(5S,9R,10R)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]formamido}-2-hydroxypropoxy]phenyl}-2-hydroxyethyl]-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-diene-3-carboxam
AlkaPlorer ID: AK161954
Synonym: None
IUPAC Name: (5S,6R,7R)-7,9-dibromo-N-[(2R)-3-[2,6-dibromo-4-[(1R)-2-[[(5S,6R,7R)-7,9-dibromo-6-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,9-diene-3-carbonyl]amino]-1-hydroxyethyl]phenoxy]-2-hydroxypropyl]-6-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,9-diene-3-carboxamide
Structure
SMILES: O=C(NC[C@@H](O)COC1=C(Br)C=C([C@@H](O)CNC(=O)C2=NO[C@]3(C=C(Br)C(=O)[C@H](Br)[C@@H]3O)C2)C=C1Br)C1=NO[C@]2(C=C(Br)C(=O)[C@H](Br)[C@@H]2O)C1
InChI: InChI=1S/C29H26Br6N4O11/c30-12-1-10(18(41)8-37-27(47)17-6-29(50-39-17)4-15(33)22(43)20(35)25(29)45)2-13(31)23(12)48-9-11(40)7-36-26(46)16-5-28(49-38-16)3-14(32)21(42)19(34)24(28)44/h1-4,11,18-20,24-25,40-41,44-45H,5-9H2,(H,36,46)(H,37,47)/t11-,18+,19+,20+,24+,25+,28-,29-/m1/s1
InChIKey: CFXBKEVRDPAWHM-STSTUSPDSA-N
Source
Properties Information
Molecule Weight: 1085.968
TPSA？: 225.67
MolLogP？: 2.2191
Number of H-Donors: 6
Number of H-Acceptors: 13
RingCount: 5
Activities Information
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