| Properties | Image |
|---|
| MNX_ID | MNXM106862 |
 |
| reference | chebi:67323 |
| formula | C50H78N6O12 |
| global charge | 0 |
| mol weight | 955.204 |
| InChIKey | LSLAZLSLSCFXNW-SOOUQXMNSA-N |
| InChI | InChI=1S/C50H78N6O12/c1-14-30(8)41-39(57)25-40(58)68-44(29(6)7)43(59)31(9)45(60)51-35(22-27(2)3)47(62)55-21-15-16-36(55)48(63)54(12)38(24-33-17-19-34(66-13)20-18-33)50(65)67-32(10)42(46(61)52-41)56-26-53(11)37(49(56)64)23-28(4)5/h17-20,27-32,35-39,41-42,44,57H,14-16,21-26H2,1-13H3,(H,51,60)(H,52,61)/t30-,31-,32+,35-,36-,37-,38-,39-,41+,42-,44-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1NC(=O)[C@@H](N2CN(C)[C@@H](CC(C)C)C2=O)[C@@H](C)OC(=O)[C@H](CC2=CC=C(OC)C=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C50H78N6O12/c1-14-30(8)41-39(57)25-40(58)68-44(29(6)7)43(59)31(9)45(60)51-35(22-27(2)3)47(62)55-21-15-16-36(55)48(63)54(12)38(24-33-17-19-34(66-13)20-18-33)50(65)67-32(10)42(46(61)52-41)56-26-53(11)37(49(56)64)23-28(4)5/h17-20,27-32,35-39,41-42,44,57H,14-16,21-26H2,1-13H3,(H,51,60)(H,52,61)/t30-,31-,32+,35-,36-,37-,38-,39-,41+,42-,44-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:14][C@H:30]([CH3:8])[C@@H:41]1[C@@H:39]([OH:57])[CH2:25][C:40](=[O:58])[O:68][C@@H:44]([CH:29]([CH3:6])[CH3:7])[C:43](=[O:59])[C@H:31]([CH3:9])[C:45]([OH:60])=[N:51][C@@H:35]([CH2:22][CH:27]([CH3:2])[CH3:3])[C:47](=[O:62])[N:55]2[CH2:21][CH2:15][CH2:16][C@H:36]2[C:48](=[O:63])[N:54]([CH3:12])[C@@H:38]([CH2:24][C:33]2=[CH:18][CH:20]=[C:34]([O:66][CH3:13])[CH:19]=[CH:17]2)[C:50](=[O:65])[O:67][C@H:32]([CH3:10])[C@H:42]([N:56]2[CH2:26][N:53]([CH3:11])[C@@H:37]([CH2:23][CH:28]([CH3:4])[CH3:5])[C:49]2=[O:64])[C:46]([OH:61])=[N:52]1 |
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