| PDB CCD ID: | A1H7S |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C34 H48 N2 O6 S |
| InChI: | InChI=1S/C34H48N2O6S/c1-18(4-11-29(40)42-22-7-5-19(6-8-22)14-27-31(41)36-32(35)43-27)23-9-10-24-30-25(17-28(39)34(23,24)3)33(2)13-12-21(37)15-20(33)16-26(30)38/h5-8,18,20-21,23-26,28,30,37-39,43H,4,9-17H2,1-3H3,(H2,35,36,41)/t18-,20-,21-,23-,24+,25+,26-,28+,30+,33+,34-/m1/s1 |
| InChIKey: | AZJPRALYCGHSRZ-WZVCMSMPSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(CCC(=O)Oc1ccc(cc1)CC2=SC(=NC2=O)N)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)O)C)O)O)C | | CACTVS 3.385 | C[CH](CCC(=O)Oc1ccc(CC2=[SH]C(=NC2=O)N)cc1)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]34C | | CACTVS 3.385 | C[C@H](CCC(=O)Oc1ccc(CC2=[SH]C(=NC2=O)N)cc1)[C@H]3CC[C@H]4[C@@H]5[C@H](O)C[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C | | OpenEye OEToolkits 2.0.7 | C[C@H](CCC(=O)Oc1ccc(cc1)CC2=SC(=NC2=O)N)[C@H]3CC[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4[C@@H](C[C@@H]6[C@@]5(CC[C@H](C6)O)C)O)O)C |
|
| Name: | [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)methyl]phenyl] (4~{R})-4-[(3~{R},5~{R},7~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoate |
