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E.g. C7H(10-14)O(0-4)

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Found 210 results

Search term: MF = 'C_{28}H_{31}N_{7}O_{3}S'
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3399492

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N7O3S/c1-6-24(27(36)29-22-16-19(37-4)11-12-23(22)38-5)39-28-30-21-10-8-7-9-20(21)26-31-25(33-35(26)28)13-14-34-18(3)15-17(2)32-34/h7-12,15-16,24H,6,13-14H2,1-5H3,(H,29,36)
C28H31N7O3S545.655839999998131100
4386358
InChI=1/C28H31N7O3S/c1-18-15-19(2)34(32-18)14-12-25-31-27-21-7-5-6-8-22(21)30-28(35(27)33-25)39-17-26(36)29-13-11-20-9-10-23(37-3)24(16-20)38-4/h5-10,15-16H,11-14,17H2,1-4H3,(H,29,36)
C28H31N7O3S545.655839999998131000
20257326
InChI=1/C28H31N7O3S/c1-16-7-8-21(17(2)11-16)29-26(36)15-39-28-30-22-14-24(38-6)23(37-5)13-20(22)27-31-25(33-35(27)28)9-10-34-19(4)12-18(3)32-34/h7-8,11-14H,9-10,15H2,1-6H3,(H,29,36)
C28H31N7O3S545.6558131000
20257327
InChI=1/C28H31N7O3S/c1-16-8-7-9-17(2)26(16)31-25(36)15-39-28-29-21-14-23(38-6)22(37-5)13-20(21)27-30-24(33-35(27)28)10-11-34-19(4)12-18(3)32-34/h7-9,12-14H,10-11,15H2,1-6H3,(H,31,36)
C28H31N7O3S545.6558131000
10987969
InChI=1/C28H31N7O3S/c1-2-3-16-33(23-24(29)34(27(38)30-26(23)37)17-19-10-6-4-7-11-19)22(36)18-39-28-32-31-25(20-14-15-20)35(28)21-12-8-5-9-13-21/h4-13,20H,2-3,14-18,29H2,1H3,(H,30,37,38)
C28H31N7O3S545.655810800
12273263

Double-bond stereo
InChI=1/C28H31N7O3S/c1-4-34(5-2)23-10-9-20(25(36)16-23)18-30-31-26(37)19-39-28-33-32-27(21-8-7-15-29-17-21)35(28)22-11-13-24(14-12-22)38-6-3/h7-18,36H,4-6,19H2,1-3H3,(H,31,37)/b30-18+
C28H31N7O3S545.65587200
62721698

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H31N7O3S/c36-25-22(15-19-5-2-1-3-6-19)31-27(38)28(17-20-18-35(33-32-20)11-4-10-29-25)8-12-34(13-9-28)26(37)23-16-24-21(30-23)7-14-39-24/h1-3,5-7,14,16,18,22,30H,4,8-13,15,17H2,(H,29,36)(H,31,38)/t22-/m0/s1
C28H31N7O3S545.65584300
62734569

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H31N7O3S/c1-18-23(21-6-3-4-8-25(21)39-18)16-33-13-19-12-26(36)29-9-11-32(2)27(37)22-7-5-10-34(28(22)38)14-20-15-35(31-30-20)24(19)17-33/h3-8,10,15,19,24H,9,11-14,16-17H2,1-2H3,(H,29,36)/t19-,24+/m0/s1
C28H31N7O3S545.65584300
65156053

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H31N7O3S/c36-28(31-20-22-7-4-14-29-19-22)23-9-6-16-34(39(37,38)25-10-2-1-3-11-25)17-13-26-32-33-27(35(26)18-12-23)24-8-5-15-30-21-24/h1-5,7-8,10-11,14-15,19,21,23H,6,9,12-13,16-18,20H2,(H,31,36)
C28H31N7O3S545.65584400
60124760
InChI=1/C28H31N7O3S/c1-31-11-13-32(14-12-31)21-5-7-22(8-6-21)35-26(36)24(25(27(35)37)39-20-23-4-2-19-38-23)33-15-17-34(18-16-33)28-29-9-3-10-30-28/h2-10,19H,11-18,20H2,1H3
C28H31N7O3S545.65583200
60135909
InChI=1/C28H31N7O3S/c1-18(2)17-38-22-8-6-21(7-9-22)35-25(36)23(24(26(35)37)39-28-31-19(3)16-20(4)32-28)33-12-14-34(15-13-33)27-29-10-5-11-30-27/h5-11,16,18H,12-15,17H2,1-4H3
C28H31N7O3S545.65583200
61724451
InChI=1/C28H31N7O3S/c1-28(2,3)22-14-23(34-38-22)32-26(36)30-19-6-4-18(5-7-19)20-15-35-21-8-9-24(33-25(21)39-27(35)31-20)37-16-17-10-12-29-13-11-17/h4-9,14-15,17,29H,10-13,16H2,1-3H3,(H2,30,32,34,36)
C28H31N7O3S545.65583300
61724461
InChI=1/C28H31N7O3S/c1-5-29-28(12-13-28)16-37-23-11-10-20-24(33-23)39-26-31-19(15-35(20)26)17-6-8-18(9-7-17)30-25(36)32-22-14-21(38-34-22)27(2,3)4/h6-11,14-15,29H,5,12-13,16H2,1-4H3,(H2,30,32,34,36)
C28H31N7O3S545.65583300
12085701
InChI=1/C28H31N7O3S/c1-3-35(4-2)39(37,38)23-17-15-22(16-18-23)32-26-25(29)27(31-19-30-26)33-34-28(36)24(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-19,24H,3-4,29H2,1-2H3,(H,34,36)(H2,30,31,32,33)
C28H31N7O3S545.65583200
5232250

Double-bond stereo
InChI=1/C28H31N7O3S/c1-4-34(5-2)23-10-9-20(25(36)16-23)18-30-31-26(37)19-39-28-33-32-27(21-8-7-15-29-17-21)35(28)22-11-13-24(14-12-22)38-6-3/h7-18,30H,4-6,19H2,1-3H3,(H,31,37)
C28H31N7O3S545.65583200
28487731
InChI=1/C28H31N7O3S/c1-39(37,38)34-16-21-3-2-4-24(25(21)17-34)26-10-9-23-15-30-28(32-35(23)26)31-22-7-5-19(6-8-22)20-11-13-33(14-12-20)18-27(29)36/h2-10,15,20H,11-14,16-18H2,1H3,(H2,29,36)(H,31,32)
C28H31N7O3S545.65583300
28670298
InChI=1/C28H31N7O3S/c1-5-35(6-2)39(37,38)26-18-23(10-7-19(26)3)32-27-31-16-14-24(34-27)21-13-15-30-25(17-21)20-8-11-22(12-9-20)33-28(36)29-4/h7-18H,5-6H2,1-4H3,(H2,29,33,36)(H,31,32,34)
C28H31N7O3S545.65583300
34950404
InChI=1/C28H31N7O3S/c1-19-17-26-27(18-24(19)23-7-3-4-8-25(23)30-20(2)36)33-34-28(32-26)31-21-9-11-22(12-10-21)39(37,38)29-13-16-35-14-5-6-15-35/h3-4,7-12,17-18,29H,5-6,13-16H2,1-2H3,(H,30,36)(H,31,32,34)
C28H31N7O3S545.65583300
34950421
InChI=1/C28H31N7O3S/c1-19-7-3-4-8-23(19)24-17-27-26(18-25(24)30-20(2)36)32-28(34-33-27)31-21-9-11-22(12-10-21)39(37,38)29-13-16-35-14-5-6-15-35/h3-4,7-12,17-18,29H,5-6,13-16H2,1-2H3,(H,30,36)(H,31,32,34)
C28H31N7O3S545.65583300
39326478
InChI=1/C28H31N7O3S/c1-19-17-20(2)30-28(29-19)39-18-25-26(31-32-35(25)22-7-11-24(38-4)12-8-22)27(36)34-15-13-33(14-16-34)21-5-9-23(37-3)10-6-21/h5-12,17H,13-16,18H2,1-4H3
C28H31N7O3S545.65582100
12345

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