| Properties | Image |
|---|
| MNX_ID | MNXM107532 |
 |
| reference | chebi:66721 |
| formula | C46H69N5O10 |
| global charge | 0 |
| mol weight | 852.083 |
| InChIKey | RPWUMVNDBWYDLU-DRBNVQAHSA-N |
| InChI | InChI=1S/C46H69N5O10/c1-13-15-17-22-36(52)31(7)37-24-23-30(6)45(58)61-38(25-28(3)4)41(54)47-32(8)42(55)51(12)35(26-34-20-18-16-19-21-34)43(56)49(10)27-39(53)48-40(29(5)14-2)44(57)50(11)33(9)46(59)60-37/h1,16,18-21,23,28-29,31-33,35-38,40,52H,14-15,17,22,24-27H2,2-12H3,(H,47,54)(H,48,53)/b30-23+/t29-,31-,32+,33+,35-,36-,37+,38-,40+/m1/s1 |
| SMILES | C#CCCC[C@@H](O)[C@@H](C)[C@@H]1C/C=C(\C)C(=O)O[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC2=CC=CC=C2)C(=O)N(C)CC(=O)N[C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](C)C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C46H69N5O10/c1-13-15-17-22-36(52)31(7)37-24-23-30(6)45(58)61-38(25-28(3)4)41(54)47-32(8)42(55)51(12)35(26-34-20-18-16-19-21-34)43(56)49(10)27-39(53)48-40(29(5)14-2)44(57)50(11)33(9)46(59)60-37/h1,16,18-21,23,28-29,31-33,35-38,40,52H,14-15,17,22,24-27H2,2-12H3,(H,47,54)(H,48,53)/b30-23+/t29-,31-,32+,33+,35-,36-,37+,38-,40+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]#[C:13][CH2:15][CH2:17][CH2:22][C@H:36]([C@@H:31]([CH3:7])[C@@H:37]1[CH2:24]/[CH:23]=[C:30](\[CH3:6])[C:45](=[O:58])[O:61][C@H:38]([CH2:25][CH:28]([CH3:3])[CH3:4])[C:41]([OH:54])=[N:47][C@@H:32]([CH3:8])[C:42](=[O:55])[N:51]([CH3:12])[C@H:35]([CH2:26][C:34]2=[CH:20][CH:18]=[CH:16][CH:19]=[CH:21]2)[C:43](=[O:56])[N:49]([CH3:10])[CH2:27][C:39]([OH:53])=[N:48][C@@H:40]([C@H:29]([CH3:5])[CH2:14][CH3:2])[C:44](=[O:57])[N:50]([CH3:11])[C@@H:33]([CH3:9])[C:46](=[O:59])[O:60]1)[OH:52] |
|