| Properties | Image |
|---|
| MNX_ID | MNXM1104641 |
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| reference | biggM:leuktrF4 |
| formula | C28H42N2O8S |
| global charge | -2 |
| mol weight | 566.717 |
| InChIKey | PYSODLWHFWCFLV-MVZIKBKVSA-L |
| InChI | InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/p-2/b7-6-,10-9-,12-11+,16-13+/t21-,22+,23+,24-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-])[C@@H](O)CCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22+,23+,24-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH:11]=[CH:12]\[CH:13]=[CH:16]\[C@H:24]([C@H:23]([CH2:15][CH2:14][CH2:17][C:26](=[O:33])[OH:34])[OH:31])[S:39][CH2:20][C@@H:22]([C:28](=[O:37])[OH:38])[N:30]=[C:25]([CH2:19][CH2:18][C@H:21]([C:27](=[O:35])[OH:36])[NH2:29])[OH:32] |
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