| Properties | Image |
|---|
| MNX_ID | MNXM744613 |
 |
| reference | chebi:140154 |
| formula | C62H111N11O13 |
| global charge | 0 |
| mol weight | 1218.634 |
| InChIKey | ZPZHKIOMBYYVRD-WRDPQARASA-N |
| InChI | InChI=1S/C62H111N11O13/c1-24-43-58(82)67(17)33-48(75)68(18)44(29-34(2)3)55(79)66-49(38(10)11)61(85)69(19)45(30-35(4)5)54(78)63-41(15)53(77)64-42(16)57(81)70(20)46(31-36(6)7)59(83)71(21)47(32-37(8)9)60(84)72(22)50(39(12)13)62(86)73(23)51(56(80)65-43)52(76)40(14)27-25-26-28-74/h25-26,34-47,49-52,74,76H,24,27-33H2,1-23H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)/b26-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 |
| SMILES | CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C/C=C/CO)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C62H111N11O13/c1-24-43-58(82)67(17)33-48(75)68(18)44(29-34(2)3)55(79)66-49(38(10)11)61(85)69(19)45(30-35(4)5)54(78)63-41(15)53(77)64-42(16)57(81)70(20)46(31-36(6)7)59(83)71(21)47(32-37(8)9)60(84)72(22)50(39(12)13)62(86)73(23)51(56(80)65-43)52(76)40(14)27-25-26-28-74/h25-26,34-47,49-52,74,76H,24,27-33H2,1-23H3,(H,63,78)(H,64,77)(H,65,80)(H,66,79)/b26-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:24][C@H:43]1[C:58](=[O:82])[N:67]([CH3:17])[CH2:33][C:48](=[O:75])[N:68]([CH3:18])[C@@H:44]([CH2:29][CH:34]([CH3:2])[CH3:3])[C:55]([OH:79])=[N:66][C@@H:49]([CH:38]([CH3:10])[CH3:11])[C:61](=[O:85])[N:69]([CH3:19])[C@@H:45]([CH2:30][CH:35]([CH3:4])[CH3:5])[C:54]([OH:78])=[N:63][C@@H:41]([CH3:15])[C:53]([OH:77])=[N:64][C@H:42]([CH3:16])[C:57](=[O:81])[N:70]([CH3:20])[C@@H:46]([CH2:31][CH:36]([CH3:6])[CH3:7])[C:59](=[O:83])[N:71]([CH3:21])[C@@H:47]([CH2:32][CH:37]([CH3:8])[CH3:9])[C:60](=[O:84])[N:72]([CH3:22])[C@@H:50]([CH:39]([CH3:12])[CH3:13])[C:62](=[O:86])[N:73]([CH3:23])[C@@H:51]([C@@H:52]([C@H:40]([CH3:14])[CH2:27]/[CH:25]=[CH:26]/[CH2:28][OH:74])[OH:76])[C:56]([OH:80])=[N:65]1 |
|