| Properties | Image |
|---|
| MNX_ID | MNXM107308 |
 |
| reference | chebi:68857 |
| formula | C56H87N7O15 |
| global charge | 0 |
| mol weight | 1098.346 |
| InChIKey | CKVQLVKUIHIXIC-WSBLOWKLSA-N |
| InChI | InChI=1S/C56H87N7O15/c1-29(2)25-38-53(72)63-24-16-18-40(63)55(74)61(13)42(27-36-19-21-37(76-14)22-20-36)56(75)77-35(11)46(59-50(69)41(26-30(3)4)60(12)54(73)39-17-15-23-62(39)52(71)34(10)64)51(70)58-45(31(5)6)43(65)28-44(66)78-48(32(7)8)47(67)33(9)49(68)57-38/h19-22,29-35,38-43,45-46,48,64-65H,15-18,23-28H2,1-14H3,(H,57,68)(H,58,70)(H,59,69)/t33-,34-,35+,38-,39-,40-,41+,42-,43-,45+,46-,48-/m0/s1 |
| SMILES | COC1=CC=C(C[C@H]2C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O[C@@H](C(C)C)C(=O)[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N2C)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C56H87N7O15/c1-29(2)25-38-53(72)63-24-16-18-40(63)55(74)61(13)42(27-36-19-21-37(76-14)22-20-36)56(75)77-35(11)46(59-50(69)41(26-30(3)4)60(12)54(73)39-17-15-23-62(39)52(71)34(10)64)51(70)58-45(31(5)6)43(65)28-44(66)78-48(32(7)8)47(67)33(9)49(68)57-38/h19-22,29-35,38-43,45-46,48,64-65H,15-18,23-28H2,1-14H3,(H,57,68)(H,58,70)(H,59,69)/t33-,34-,35+,38-,39-,40-,41+,42-,43-,45+,46-,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:29]([CH3:2])[CH2:25][C@H:38]1[C:53](=[O:72])[N:63]2[CH2:24][CH2:16][CH2:18][C@H:40]2[C:55](=[O:74])[N:61]([CH3:13])[C@@H:42]([CH2:27][C:36]2=[CH:20][CH:22]=[C:37]([O:76][CH3:14])[CH:21]=[CH:19]2)[C:56](=[O:75])[O:77][C@H:35]([CH3:11])[C@H:46]([N:59]=[C:50]([C@@H:41]([CH2:26][CH:30]([CH3:3])[CH3:4])[N:60]([CH3:12])[C:54]([C@@H:39]2[CH2:17][CH2:15][CH2:23][N:62]2[C:52]([C@H:34]([CH3:10])[OH:64])=[O:71])=[O:73])[OH:69])[C:51]([OH:70])=[N:58][C@H:45]([CH:31]([CH3:5])[CH3:6])[C@@H:43]([OH:65])[CH2:28][C:44](=[O:66])[O:78][C@@H:48]([CH:32]([CH3:7])[CH3:8])[C:47](=[O:67])[C@H:33]([CH3:9])[C:49]([OH:68])=[N:57]1 |
|