| Properties | Image |
|---|
| MNX_ID | MNXM737949 |
 |
| reference | seedM:cpd15401 |
| formula | C29H46N6O15 |
| global charge | -2 |
| mol weight | 718.714 |
| InChIKey | OUWAMZWZTFUVMV-NPLPHQDTSA-L |
| InChI | InChI=1S/C29H48N6O15/c1-12(31-25(42)14(3)50-23-19(33-15(4)37)11-49-20(10-36)22(23)40)24(41)34-18(8-9-21(38)39)27(44)35-17(7-5-6-16(30)29(47)48)26(43)32-13(2)28(45)46/h12-14,16-20,22-23,36,40H,5-11,30H2,1-4H3,(H,31,42)(H,32,43)(H,33,37)(H,34,41)(H,35,44)(H,38,39)(H,45,46)(H,47,48)/p-2/t12-,13?,14+,16?,17-,18+,19-,20+,22+,23+/m0/s1 |
| SMILES | CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC([NH3+])C(=O)[O-])C(=O)NC(C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H48N6O15/c1-12(31-25(42)14(3)50-23-19(33-15(4)37)11-49-20(10-36)22(23)40)24(41)34-18(8-9-21(38)39)27(44)35-17(7-5-6-16(30)29(47)48)26(43)32-13(2)28(45)46/h12-14,16-20,22-23,36,40H,5-11,30H2,1-4H3,(H,31,42)(H,32,43)(H,33,37)(H,34,41)(H,35,44)(H,38,39)(H,45,46)(H,47,48)/t12-,13?,14+,16?,17-,18+,19-,20+,22+,23+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:12]([C:24](=[N:34][C@H:18]([CH2:8][CH2:9][C:21](=[O:38])[OH:39])[C:27](=[N:35][C@@H:17]([CH2:7][CH2:5][CH2:6][CH:16]([C:29](=[O:47])[OH:48])[NH2:30])[C:26](=[N:32][CH:13]([CH3:2])[C:28](=[O:45])[OH:46])[OH:43])[OH:44])[OH:41])[N:31]=[C:25]([C@@H:14]([CH3:3])[O:50][C@@H:23]1[C@@H:19]([N:33]=[C:15]([CH3:4])[OH:37])[CH2:11][O:49][C@H:20]([CH2:10][OH:36])[C@H:22]1[OH:40])[OH:42] |
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