| Properties | Image |
|---|
| MNX_ID | MNXM105680 |
 |
| reference | chebi:69191 |
| formula | C51H82N8O11 |
| global charge | 0 |
| mol weight | 983.262 |
| InChIKey | IIRHRPDTNGFOSK-ONMSWCRESA-N |
| InChI | InChI=1S/C51H82N8O11/c1-17-22-36-32(8)49(68)70-42(31(7)18-2)47(66)53-27-39(60)57(14)37(25-29(3)4)45(64)52-28-40(61)59(16)41(30(5)6)48(67)58(15)38(26-35-23-20-19-21-24-35)46(65)54-33(9)43(62)51(11,12)50(69)56(13)34(10)44(63)55-36/h19-21,23-24,29-34,36-38,41-42H,17-18,22,25-28H2,1-16H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t31-,32-,33-,34-,36+,37-,38-,41-,42-/m0/s1 |
| SMILES | CCC[C@H]1NC(=O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C51H82N8O11/c1-17-22-36-32(8)49(68)70-42(31(7)18-2)47(66)53-27-39(60)57(14)37(25-29(3)4)45(64)52-28-40(61)59(16)41(30(5)6)48(67)58(15)38(26-35-23-20-19-21-24-35)46(65)54-33(9)43(62)51(11,12)50(69)56(13)34(10)44(63)55-36/h19-21,23-24,29-34,36-38,41-42H,17-18,22,25-28H2,1-16H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t31-,32-,33-,34-,36+,37-,38-,41-,42-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:17][CH2:22][C@@H:36]1[C@H:32]([CH3:8])[C:49](=[O:68])[O:70][C@@H:42]([C@@H:31]([CH3:7])[CH2:18][CH3:2])[C:47]([OH:66])=[N:53][CH2:27][C:39](=[O:60])[N:57]([CH3:14])[C@@H:37]([CH2:25][CH:29]([CH3:3])[CH3:4])[C:45]([OH:64])=[N:52][CH2:28][C:40](=[O:61])[N:59]([CH3:16])[C@@H:41]([CH:30]([CH3:5])[CH3:6])[C:48](=[O:67])[N:58]([CH3:15])[C@@H:38]([CH2:26][C:35]2=[CH:23][CH:20]=[CH:19][CH:21]=[CH:24]2)[C:46]([OH:65])=[N:54][C@@H:33]([CH3:9])[C:43](=[O:62])[C:51]([CH3:11])([CH3:12])[C:50](=[O:69])[N:56]([CH3:13])[C@@H:34]([CH3:10])[C:44]([OH:63])=[N:55]1 |
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