| Properties | Image |
|---|
| MNX_ID | MNXM113926 |
 |
| reference | chebi:70163 |
| formula | C59H72N12O12 |
| global charge | 0 |
| mol weight | 1141.297 |
| InChIKey | LRFQMOZAQWOOPZ-IBFZZIGPSA-N |
| InChI | InChI=1S/C59H72N12O12/c1-7-33(4)47-55-65-40(31-82-55)49(73)61-34(5)57(78)71-26-16-23-44(71)59(80)70-25-14-21-42(70)51(75)60-29-45(72)66-46(32(2)3)56-68-48(35(6)83-56)53(77)62-38(27-36-17-10-8-11-18-36)54-64-41(30-81-54)50(74)63-39(28-37-19-12-9-13-20-37)58(79)69-24-15-22-43(69)52(76)67-47/h8-13,17-20,30-34,38-39,42-44,46-47H,7,14-16,21-29H2,1-6H3,(H,60,75)(H,61,73)(H,62,77)(H,63,74)(H,66,72)(H,67,76)/t33-,34-,38-,39-,42-,43-,44-,46-,47-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C2=COC(=N2)[C@H](CC2=CC=CC=C2)NC(=O)C2=C(C)OC(=N2)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)C2=COC1=N2 |
MNX internals
| InChI (mnx) | InChI=1/C59H72N12O12/c1-7-33(4)47-55-65-40(31-82-55)49(73)61-34(5)57(78)71-26-16-23-44(71)59(80)70-25-14-21-42(70)51(75)60-29-45(72)66-46(32(2)3)56-68-48(35(6)83-56)53(77)62-38(27-36-17-10-8-11-18-36)54-64-41(30-81-54)50(74)63-39(28-37-19-12-9-13-20-37)58(79)69-24-15-22-43(69)52(76)67-47/h8-13,17-20,30-34,38-39,42-44,46-47H,7,14-16,21-29H2,1-6H3,(H,60,75)(H,61,73)(H,62,77)(H,63,74)(H,66,72)(H,67,76)/t33-,34-,38-,39-,42-,43-,44-,46-,47-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][C@H:33]([CH3:4])[C@H:47]1[C:55]2=[N:65][C:40](=[CH:31][O:82]2)[C:49]([OH:73])=[N:61][C@@H:34]([CH3:5])[C:57](=[O:78])[N:71]2[CH2:26][CH2:16][CH2:23][C@H:44]2[C:59](=[O:80])[N:70]2[CH2:25][CH2:14][CH2:21][C@H:42]2[C:51]([OH:75])=[N:60][CH2:29][C:45]([OH:72])=[N:66][C@@H:46]([CH:32]([CH3:2])[CH3:3])[C:56]2=[N:68][C:48](=[C:35]([CH3:6])[O:83]2)[C:53]([OH:77])=[N:62][C@@H:38]([CH2:27][C:36]2=[CH:17][CH:10]=[CH:8][CH:11]=[CH:18]2)[C:54]2=[N:64][C:41](=[CH:30][O:81]2)[C:50]([OH:74])=[N:63][C@@H:39]([CH2:28][C:37]2=[CH:19][CH:12]=[CH:9][CH:13]=[CH:20]2)[C:58](=[O:79])[N:69]2[CH2:24][CH2:15][CH2:22][C@H:43]2[C:52]([OH:76])=[N:67]1 |
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