| Properties | Image |
|---|
| MNX_ID | MNXM1106946 |
 |
| reference | chebi:146203 |
| formula | C34H48N7O17P3S |
| global charge | -4 |
| mol weight | 951.779 |
| InChIKey | ZWOQHSZKILPKKA-NGSKWOHTSA-J |
| InChI | InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/t20-,23-,26-,27-,28+,32-/m1/s1 |
| SMILES | CC(C)CC1=CC=C([C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2OP(=O)([O-])[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t20-,23-,26-,27-,28+,32-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[CH2:14][C:21]1=[CH:7][CH:9]=[C:22]([C@@H:20]([CH3:3])[C:33](=[O:46])[S:62][CH2:13][CH2:12][N:36]=[C:24]([CH2:10][CH2:11][N:37]=[C:31]([C@@H:28]([C:34]([CH3:4])([CH3:5])[CH2:16][O:55][P:61]([OH:52])(=[O:53])[O:58][P:60]([OH:50])(=[O:51])[O:54][CH2:15][C@@H:23]2[C@@H:27]([O:57][P:59]([OH:47])([OH:48])=[O:49])[C@@H:26]([OH:43])[C@H:32]([N:41]3[CH:18]=[N:40][C:25]4=[C:29]([NH2:35])[N:38]=[CH:17][N:39]=[C:30]43)[O:56]2)[OH:44])[OH:45])[OH:42])[CH:8]=[CH:6]1 |
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