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Sulfadixiamycin C

AlkaPlorer ID: AK000332

Synonym: None

IUPAC Name: (16R,17S,18S,21S)-6-[[(16R,17S,18S,21S)-17-carboxy-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11-hexaen-12-yl]sulfonyl]-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12-hexaene-17-carboxylic acid

Structure

SMILES: C[C@]12CC[C@@H]([C@@]([C@@H]1CCC3=CC4=C(C=C23)C5=C(N4)C=CC(=C5)S(=O)(=O)C6=C7C(=CC8=C6CC[C@@H]9[C@@]8(CC[C@@H]([C@@]9(C)C(=O)O)O)C)C1=CC=CC=C1N7)(C)C(=O)O)O

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InChI: InChI=1S/C46H48N2O8S/c1-43-17-15-37(49)45(3,41(51)52)35(43)13-9-23-19-34-28(21-30(23)43)27-20-24(10-12-33(27)47-34)57(55,56)40-26-11-14-36-44(2,18-16-38(50)46(36,4)42(53)54)31(26)22-29-25-7-5-6-8-32(25)48-39(29)40/h5-8,10,12,19-22,35-38,47-50H,9,11,13-18H2,1-4H3,(H,51,52)(H,53,54)/t35-,36-,37+,38+,43-,44-,45+,46+/m1/s1

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InChIKey: JUHALZHBXHSBMH-LPHIXDDYSA-N

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Properties Information

Molecule Weight: 788.9630000000005

TPSA？: 180.77999999999997

MolLogP？: 7.919800000000009

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterococcus faecalis Enterococcus faecalis MIC 12.5 ug.mL-1 10.1021/acs.jnatprod.1c00411
Enterococcus faecium Enterococcus faecium MIC 6.25 ug.mL-1 10.1021/acs.jnatprod.1c00411
Escherichia coli Escherichia coli MIC 12.5 ug.mL-1 10.1021/acs.jnatprod.1c00411
Micrococcus luteus Micrococcus luteus MIC 12.5 ug.mL-1 10.1021/acs.jnatprod.1c00411
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 12.5 ug.mL-1 10.1021/acs.jnatprod.1c00411
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium MIC 12.5 ug.mL-1 10.1021/acs.jnatprod.1c00411
Staphylococcus aureus Staphylococcus aureus MIC 12.5 ug.mL-1 10.1021/acs.jnatprod.1c00411

Metabolism Information