| Properties | Image |
|---|
| MNX_ID | MNXM155033 |
 |
| reference | chebi:75464 |
| formula | C45H65N9O28 |
| global charge | 0 |
| mol weight | 1180.05 |
| InChIKey | XWEIRHOFOHTVMX-VBCUAXOFSA-N |
| InChI | InChI=1S/C45H65N9O28/c46-19(37(65)66)1-10-28(55)47-20(38(67)68)2-11-29(56)48-21(39(69)70)3-12-30(57)49-22(40(71)72)4-13-31(58)50-23(41(73)74)5-14-32(59)51-24(42(75)76)6-15-33(60)52-25(43(77)78)7-16-34(61)53-26(44(79)80)8-17-35(62)54-27(45(81)82)9-18-36(63)64/h19-27H,1-18,46H2,(H,47,55)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/t19-,20-,21-,22-,23-,24-,25-,26-,27-/m1/s1 |
| SMILES | N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C45H65N9O28/c46-19(37(65)66)1-10-28(55)47-20(38(67)68)2-11-29(56)48-21(39(69)70)3-12-30(57)49-22(40(71)72)4-13-31(58)50-23(41(73)74)5-14-32(59)51-24(42(75)76)6-15-33(60)52-25(43(77)78)7-16-34(61)53-26(44(79)80)8-17-35(62)54-27(45(81)82)9-18-36(63)64/h19-27H,1-18,46H2,(H,47,55)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/t19-,20-,21-,22-,23-,24-,25-,26-,27-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:10][C:28](=[N:47][C@H:20]([CH2:2][CH2:11][C:29](=[N:48][C@H:21]([CH2:3][CH2:12][C:30](=[N:49][C@H:22]([CH2:4][CH2:13][C:31](=[N:50][C@H:23]([CH2:5][CH2:14][C:32](=[N:51][C@H:24]([CH2:6][CH2:15][C:33](=[N:52][C@H:25]([CH2:7][CH2:16][C:34](=[N:53][C@H:26]([CH2:8][CH2:17][C:35](=[N:54][C@H:27]([CH2:9][CH2:18][C:36](=[O:63])[OH:64])[C:45](=[O:81])[OH:82])[OH:62])[C:44](=[O:79])[OH:80])[OH:61])[C:43](=[O:77])[OH:78])[OH:60])[C:42](=[O:75])[OH:76])[OH:59])[C:41](=[O:73])[OH:74])[OH:58])[C:40](=[O:71])[OH:72])[OH:57])[C:39](=[O:69])[OH:70])[OH:56])[C:38](=[O:67])[OH:68])[OH:55])[C@H:19]([C:37](=[O:65])[OH:66])[NH2:46] |
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