| Properties | Image |
|---|
| MNX_ID | MNXM1363632 |
 |
| reference | chebi:44898 |
| formula | C55H74N4O5 |
| global charge | 0 |
| mol weight | 871.22 |
| InChIKey | CQIKWXUXPNUNDV-RCBXBCQGSA-N |
| InChI | InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 |
| SMILES | C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C@@H]4C(=O)OC)C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C |
MNX internals
| InChI (mnx) | InChI=1/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:13][C:39]1=[C:35]([CH3:8])/[C:42]2=[CH:28]/[C:44]3=[N:58]/[C:52](=[C:50]4/[C@@H:51]([C:55](=[O:62])[O:63][CH3:12])[C:54](=[O:61])[C:49]5=[C:53]4[NH:59][C:45](=[C:38]5[CH3:11])/[CH:30]=[C:47]4/[C:40]([CH2:14][CH3:2])=[C:36]([CH3:9])[C:43](=[N:57]4)/[CH:29]=[C:46]/1[NH:56]2)[C@@H:41]([CH2:24][CH2:25][C:48](=[O:60])[O:64][CH2:27]/[CH:26]=[C:34](\[CH3:7])[CH2:23][CH2:17][CH2:22][C@H:33]([CH3:6])[CH2:21][CH2:16][CH2:20][C@H:32]([CH3:5])[CH2:19][CH2:15][CH2:18][CH:31]([CH3:3])[CH3:4])[C@@H:37]3[CH3:10] |
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