| Properties | Image |
|---|
| MNX_ID | MNXM3428 |
 |
| reference | biggM:10fthf5glu |
| formula | C40H45N11O19 |
| global charge | -6 |
| mol weight | 983.858 |
| InChIKey | RGSLBOWMZCMTRA-UHFFFAOYSA-H |
| InChI | InChI=1S/C40H51N11O19/c41-40-49-32-31(37(66)50-40)43-19(15-42-32)16-51(17-52)20-3-1-18(2-4-20)33(62)47-24(38(67)68)5-10-26(53)44-21(6-11-27(54)55)34(63)45-22(7-12-28(56)57)35(64)46-23(8-13-29(58)59)36(65)48-25(39(69)70)9-14-30(60)61/h1-4,17,19,21-25,43H,5-16H2,(H,44,53)(H,45,63)(H,46,64)(H,47,62)(H,48,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,67,68)(H,69,70)(H4,41,42,49,50,66)/p-6 |
| SMILES | [H]/N=C1\N=C(O)C2=C(NCC(CN(C=O)C3=CC=C(C(=O)NC(CCC(=O)NC(CCC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C=C3)N2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C40H51N11O19/c41-40-49-32-31(37(66)50-40)43-19(15-42-32)16-51(17-52)20-3-1-18(2-4-20)33(62)47-24(38(67)68)5-10-26(53)44-21(6-11-27(54)55)34(63)45-22(7-12-28(56)57)35(64)46-23(8-13-29(58)59)36(65)48-25(39(69)70)9-14-30(60)61/h1-4,17,19,21-25,43H,5-16H2,(H,44,53)(H,45,63)(H,46,64)(H,47,62)(H,48,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,67,68)(H,69,70)(H4,41,42,49,50,66)/t19?,21?,22?,23?,24?,25? |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:20]([N:51]([CH2:16][CH:19]2[CH2:15][NH:42][C:32]3=[C:31]([C:37]([OH:66])=[N:50][C:40](=[NH:41])[NH:49]3)[NH:43]2)[CH:17]=[O:52])=[CH:4][CH:2]=[C:18]1[C:33]([NH:47][CH:24]([CH2:5][CH2:10][C:26](=[N:44][CH:21]([CH2:6][CH2:11][C:27](=[O:54])[OH:55])[C:34](=[N:45][CH:22]([CH2:7][CH2:12][C:28](=[O:56])[OH:57])[C:35](=[N:46][CH:23]([CH2:8][CH2:13][C:29](=[O:58])[OH:59])[C:36](=[N:48][CH:25]([CH2:9][CH2:14][C:30](=[O:60])[OH:61])[C:39](=[O:69])[OH:70])[OH:65])[OH:64])[OH:63])[OH:53])[C:38](=[O:67])[OH:68])=[O:62] |
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