| Properties | Image |
|---|
| MNX_ID | MNXM157540 |
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| reference | chebi:77752 |
| formula | C43H69N11O3 |
| global charge | 0 |
| mol weight | 788.099 |
| InChIKey | ZVOYWSKEBVVLGW-ZDCRTTOTSA-N |
| InChI | InChI=1S/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,56)(H,52,57)(H,53,55)(H4,45,46,50)(H4,47,48,51)/t31-,32-,33-/m0/s1 |
| SMILES | CC(C)(C)C1=CC2=C(NC(C(C)(C)C)=C2C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCC2=CC=CC=C2)C(C(C)(C)C)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,56)(H,52,57)(H,53,55)(H4,45,46,50)(H4,47,48,51)/t31-,32-,33-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:41]([CH3:2])([CH3:3])[C:27]1=[CH:23][C:28]2=[C:34]([C:30]([C:42]([CH3:4])([CH3:5])[CH3:6])=[CH:24]1)[NH:54][C:35]([C:43]([CH3:7])([CH3:8])[CH3:9])=[C:29]2[CH2:25][C@@H:33]([C:38](=[N:52][C@@H:32]([CH2:18][CH2:14][CH2:21][NH:51][C:40](=[NH:47])[NH2:48])[C:37](=[N:49][CH2:22][CH2:19][C:26]1=[CH:15][CH:11]=[CH:10][CH:12]=[CH:16]1)[OH:56])[OH:57])[N:53]=[C:36]([C@H:31]([CH2:17][CH2:13][CH2:20][NH:50][C:39](=[NH:45])[NH2:46])[NH2:44])[OH:55] |
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