| Properties | Image |
|---|
| MNX_ID | MNXM1370085 |
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| reference | seedM:cpd00792 |
| formula | C29H34N5O18P |
| global charge | -4 |
| mol weight | 771.582 |
| InChIKey | RDHXBNUVUMZACV-UJHIRKDASA-J |
| InChI | InChI=1S/C29H38N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,9,12,15-17,19-20,23,35-37,41H,4-8,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/p-4/t12-,15?,16-,17-,19-,20+,23-/m0/s1 |
| SMILES | C[C@H](OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C2=NC(=O)NC(=O)C2Cc2ccc(O)cc21)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H38N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,9,12,15-17,19-20,23,35-37,41H,4-8,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,15?,16-,17-,19-,20+,23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:2]([CH2:3][C:4](=[CH2:5])([CH3:6])[CH2:7][CH2:8][C@H:9]([CH3:10])[C@@H:11]([CH3:12])[C@@H:13]([CH3:14])[CH2:15][CH:16]1[C:17]2=[CH:18][C:19](=[CH2:20])[CH2:21][C:22](=[CH2:23])[CH:24]2[CH2:25][C:26]2=[CH:27][CH:28]=[C:29]([NH2:30])[N:31]=[N:32]12)[N:33](=[NH:34])[O:35][O:36]([O:37][O:38][O:39](=[O:40])[O:41][O:42]([O:43][O:44][O:45](=[O:46])[OH:47])[O:48](=[O:49])[OH:50])[O:51](=[O:52])[PH2:53] |
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