| Properties | Image |
|---|
| MNX_ID | MNXM1381927 |
 |
| reference | chebi:199565 |
| formula | C46H69N5O10 |
| global charge | 0 |
| mol weight | 852.083 |
| InChIKey | PQGOCRXEFILOCI-GHHDHJOVSA-N |
| InChI | InChI=1S/C46H69N5O10/c1-13-15-17-24-34-46(9,10)45(59)48-36(30(8)52)41(55)49(11)33(26-31-21-18-16-19-22-31)40(54)51-25-20-23-32(51)43(57)61-38(29(7)14-2)42(56)50(12)37(28(5)6)39(53)47-35(27(3)4)44(58)60-34/h1,16,18-19,21-22,27-30,32-38,52H,14-15,17,20,23-26H2,2-12H3,(H,47,53)(H,48,59)/t29-,30-,32+,33+,34?,35+,36+,37+,38+/m1/s1 |
| SMILES | C#CCCCC1OC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@H](C)CC)OC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C46H69N5O10/c1-13-15-17-24-34-46(9,10)45(59)48-36(30(8)52)41(55)49(11)33(26-31-21-18-16-19-22-31)40(54)51-25-20-23-32(51)43(57)61-38(29(7)14-2)42(56)50(12)37(28(5)6)39(53)47-35(27(3)4)44(58)60-34/h1,16,18-19,21-22,27-30,32-38,52H,14-15,17,20,23-26H2,2-12H3,(H,47,53)(H,48,59)/t29-,30-,32+,33+,34?,35+,36+,37+,38+/m1/s1 |
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| SMILES (mnx) | [CH:1]#[C:13][CH2:15][CH2:17][CH2:24][CH:34]1[C:46]([CH3:9])([CH3:10])[C:45](=[O:59])[NH:48][C@@H:36]([C@@H:30]([CH3:8])[OH:52])[C:41](=[O:55])[N:49]([CH3:11])[C@@H:33]([CH2:26][c:31]2[cH:21][cH:18][cH:16][cH:19][cH:22]2)[C:40](=[O:54])[N:51]2[CH2:25][CH2:20][CH2:23][C@H:32]2[C:43](=[O:57])[O:61][C@@H:38]([C@H:29]([CH3:7])[CH2:14][CH3:2])[C:42](=[O:56])[N:50]([CH3:12])[C@@H:37]([CH:28]([CH3:5])[CH3:6])[C:39](=[O:53])[NH:47][C@@H:35]([CH:27]([CH3:3])[CH3:4])[C:44](=[O:58])[O:60]1 |
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