| Properties | Image |
|---|
| MNX_ID | MNXM40420 |
 |
| reference | chebi:177817 |
| formula | C27H37NO4S |
| global charge | 0 |
| mol weight | 471.663 |
| InChIKey | GKRBCKDGBDUAIQ-URXFXBBRSA-N |
| InChI | InChI=1S/C27H37NO4S/c1-4-5-6-10-24(29)20-11-13-22(14-12-20)28-21(15-18-26(28)30)8-7-9-23-16-17-25(33-23)27(31)32-19(2)3/h11-14,16-17,19,21,24,29H,4-10,15,18H2,1-3H3/t21-,24-/m0/s1 |
| SMILES | CCCCC[C@H](O)C1=CC=C(N2C(=O)CC[C@@H]2CCCC2=CC=C(C(=O)OC(C)C)S2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H37NO4S/c1-4-5-6-10-24(29)20-11-13-22(14-12-20)28-21(15-18-26(28)30)8-7-9-23-16-17-25(33-23)27(31)32-19(2)3/h11-14,16-17,19,21,24,29H,4-10,15,18H2,1-3H3/t21-,24-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:10][C@@H:24]([C:20]1=[CH:12][CH:14]=[C:22]([N:28]2[C@@H:21]([CH2:8][CH2:7][CH2:9][C:23]3=[CH:16][CH:17]=[C:25]([C:27](=[O:31])[O:32][CH:19]([CH3:2])[CH3:3])[S:33]3)[CH2:15][CH2:18][C:26]2=[O:30])[CH:13]=[CH:11]1)[OH:29] |
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