| Properties | Image |
|---|
| MNX_ID | MNXM169198 |
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| reference | sabiorkM:26884 |
| formula | C34H50N8O10 |
| global charge | 0 |
| mol weight | 730.82 |
| InChIKey | PWOIMWXLMWHALO-SBZQNBARSA-N |
| InChI | InChI=1S/C34H50N8O10/c1-7-18(2)28(42-33(50)52-34(4,5)6)31(49)40-23(12-13-26(44)45)29(47)38-17-25(43)41-30(48)22(9-8-14-37-32(35)36)39-20-10-11-21-19(3)15-27(46)51-24(21)16-20/h10-11,15-16,18,22-23,28,39H,7-9,12-14,17H2,1-6H3,(H,38,47)(H,40,49)(H,42,50)(H,44,45)(H4,35,36,37)(H,41,43,48)/t18-,22-,23-,28-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCC(O)=NC(=O)[C@H](CCCNC(=N)N)NC1=CC2=C(C=C1)C(C)=CC(=O)O2 |
MNX internals
| InChI (mnx) | InChI=1/C34H50N8O10/c1-7-18(2)28(42-33(50)52-34(4,5)6)31(49)40-23(12-13-26(44)45)29(47)38-17-25(43)41-30(48)22(9-8-14-37-32(35)36)39-20-10-11-21-19(3)15-27(46)51-24(21)16-20/h10-11,15-16,18,22-23,28,39H,7-9,12-14,17H2,1-6H3,(H,38,47)(H,40,49)(H,42,50)(H,44,45)(H4,35,36,37)(H,41,43,48)/t18-,22-,23-,28-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][C@H:18]([CH3:2])[C@@H:28]([C:31](=[N:40][C@@H:23]([CH2:12][CH2:13][C:26](=[O:44])[OH:45])[C:29](=[N:38][CH2:17][C:25](=[N:41][C:30]([C@H:22]([CH2:9][CH2:8][CH2:14][NH:37][C:32](=[NH:35])[NH2:36])[NH:39][C:20]1=[CH:16][C:24]2=[C:21]([CH:11]=[CH:10]1)[C:19]([CH3:3])=[CH:15][C:27](=[O:46])[O:51]2)=[O:48])[OH:43])[OH:47])[OH:49])[N:42]=[C:33]([OH:50])[O:52][C:34]([CH3:4])([CH3:5])[CH3:6] |
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