| Properties | Image |
|---|
| MNX_ID | MNXM104076 |
 |
| reference | chebi:65667 |
| formula | C47H82N6O6 |
| global charge | 0 |
| mol weight | 827.209 |
| InChIKey | FIZFMEDRNMJYPL-XMXBVVCASA-N |
| InChI | InChI=1S/C47H82N6O6/c1-3-39-25-18-19-30-46(59-39)36-38-28-29-40-43(47(31-21-24-37(2)58-47)51-45(50-46)53(38)40)44(56)57-35-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-42(55)52(34-23-32-48)33-22-26-41(49)54/h18,25,37-40,43H,3-17,19-24,26-36,48H2,1-2H3,(H2,49,54)(H,50,51)/t37-,38+,39+,40-,43-,46+,47-/m1/s1 |
| SMILES | CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCC(N)=O)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 |
MNX internals
| InChI (mnx) | InChI=1/C47H82N6O6/c1-3-39-25-18-19-30-46(59-39)36-38-28-29-40-43(47(31-21-24-37(2)58-47)51-45(50-46)53(38)40)44(56)57-35-20-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-42(55)52(34-23-32-48)33-22-26-41(49)54/h18,25,37-40,43H,3-17,19-24,26-36,48H2,1-2H3,(H2,49,54)(H,50,51)/t37-,38+,39+,40-,43-,46+,47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:39]1[CH:25]=[CH:18][CH2:19][CH2:30][C@@:46]2([CH2:36][C@@H:38]3[CH2:28][CH2:29][C@@H:40]4[C@H:43]([C:44](=[O:56])[O:57][CH2:35][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:27][C:42]([N:52]([CH2:33][CH2:22][CH2:26][C:41](=[NH:49])[OH:54])[CH2:34][CH2:23][CH2:32][NH2:48])=[O:55])[C@:47]5([CH2:31][CH2:21][CH2:24][C@@H:37]([CH3:2])[O:58]5)[NH:51][C:45](=[N:50]2)[N:53]34)[O:59]1 |
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