| Properties | Image |
|---|
| MNX_ID | MNXM162055 |
 |
| reference | keggD:D08666 |
| formula | C31H53ClN2O5S |
| global charge | 0 |
| mol weight | 601.294 |
| InChIKey | MFBPRQKHDIVLOJ-UELAYHSHSA-N |
| InChI | InChI=1S/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37);1H/t19?,20-,22+,24?,25-,26-,29+,30-,31-;/m0./s1 |
| SMILES | C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)C(N)C(C)C)[C@]2(C)C(C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.Cl |
MNX internals
| InChI (mnx) | InChI=1/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37);1H/t19?,20-,22+,24?,25-,26-,29+,30-,31-;/m0./s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:10][C@:29]1([CH3:8])[CH2:15][C@@H:22]([O:38][C:23]([CH2:16][S:39][C:28]([CH3:6])([CH3:7])[CH2:17][N:33]=[C:27]([CH:24]([CH:18]([CH3:2])[CH3:3])[NH2:32])[OH:37])=[O:35])[C@:30]2([CH3:9])[CH:19]([CH3:4])[CH2:11][CH2:13][C@:31]3([CH2:14][CH2:12][C:21](=[O:34])[C@@H:25]23)[C@@H:20]([CH3:5])[C@@H:26]1[OH:36].[ClH:40] |
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