| Properties | Image |
|---|
| MNX_ID | MNXM744611 |
 |
| reference | chebi:140175 |
| formula | C62H111N11O13 |
| global charge | 0 |
| mol weight | 1218.634 |
| InChIKey | OPQZHVFVHOLQNE-JFGKHBSWSA-N |
| InChI | InChI=1S/C62H111N11O13/c1-24-43-58(81)67(17)32-48(75)68(18)44(27-33(2)3)55(78)66-49(37(10)11)61(84)69(19)45(28-34(4)5)54(77)63-40(15)53(76)64-41(16)57(80)70(20)46(29-35(6)7)59(82)71(21)47(30-36(8)9)60(83)72(22)50(38(12)13)62(85)73(23)51(56(79)65-43)52-39(14)31-42(86-52)25-26-74/h33-47,49-52,74H,24-32H2,1-23H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/t39-,40+,41-,42?,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 |
| SMILES | CC[C@@H]1NC(=O)[C@H]([C@@H]2OC(CCO)C[C@H]2C)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(81)67(17)32-48(75)68(18)44(27-33(2)3)55(78)66-49(37(10)11)61(84)69(19)45(28-34(4)5)54(77)63-40(15)53(76)64-41(16)57(80)70(20)46(29-35(6)7)59(82)71(21)47(30-36(8)9)60(83)72(22)50(38(12)13)62(85)73(23)51(56(79)65-43)52-39(14)31-42(86-52)25-26-74/h33-47,49-52,74H,24-32H2,1-23H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/t39-,40+,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:81])[N:67]([CH3:17])[CH2:32][C:48](=[O:75])[N:68]([CH3:18])[C@@H:44]([CH2:27][CH:33]([CH3:2])[CH3:3])[C:55]([OH:78])=[N:66][C@@H:49]([CH:37]([CH3:10])[CH3:11])[C:61](=[O:84])[N:69]([CH3:19])[C@@H:45]([CH2:28][CH:34]([CH3:4])[CH3:5])[C:54]([OH:77])=[N:63][C@@H:40]([CH3:15])[C:53]([OH:76])=[N:64][C@H:41]([CH3:16])[C:57](=[O:80])[N:70]([CH3:20])[C@@H:46]([CH2:29][CH:35]([CH3:6])[CH3:7])[C:59](=[O:82])[N:71]([CH3:21])[C@@H:47]([CH2:30][CH:36]([CH3:8])[CH3:9])[C:60](=[O:83])[N:72]([CH3:22])[C@@H:50]([CH:38]([CH3:12])[CH3:13])[C:62](=[O:85])[N:73]([CH3:23])[C@@H:51]([C@H:52]2[C@H:39]([CH3:14])[CH2:31][CH:42]([CH2:25][CH2:26][OH:74])[O:86]2)[C:56]([OH:79])=[N:65]1 |
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