| Properties | Image |
|---|
| MNX_ID | MNXM819807 |
 |
| reference | sabiorkM:31345 |
| formula | C32H62N13O12P |
| global charge | 0 |
| mol weight | 851.901 |
| InChIKey | MDIPDXVLGWCSIU-LLINQDLYSA-N |
| InChI | InChI=1S/C32H62N13O12P/c1-16(2)12-19(33)26(49)42-21(9-7-11-39-32(36)37)29(52)43-20(8-6-10-38-31(34)35)28(51)41-18(5)25(48)45-23(15-57-58(54,55)56)30(53)44-22(13-17(3)4)27(50)40-14-24(46)47/h16-23H,6-15,33H2,1-5H3,(H,40,50)(H,41,51)(H,42,49)(H,43,52)(H,44,53)(H,45,48)(H,46,47)(H4,34,35,38)(H4,36,37,39)(H2,54,55,56)/t18-,19-,20-,21-,22-,23-/m0/s1 |
| SMILES | CC(C)C[C@H](N=C(O)[C@H](COP(=O)(O)O)N=C(O)[C@H](C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(C)C)C(O)=NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C32H62N13O12P/c1-16(2)12-19(33)26(49)42-21(9-7-11-39-32(36)37)29(52)43-20(8-6-10-38-31(34)35)28(51)41-18(5)25(48)45-23(15-57-58(54,55)56)30(53)44-22(13-17(3)4)27(50)40-14-24(46)47/h16-23H,6-15,33H2,1-5H3,(H,40,50)(H,41,51)(H,42,49)(H,43,52)(H,44,53)(H,45,48)(H,46,47)(H4,34,35,38)(H4,36,37,39)(H2,54,55,56)/t18-,19-,20-,21-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[CH2:12][C@@H:19]([C:26](=[N:42][C@@H:21]([CH2:9][CH2:7][CH2:11][NH:39][C:32](=[NH:36])[NH2:37])[C:29](=[N:43][C@@H:20]([CH2:8][CH2:6][CH2:10][NH:38][C:31](=[NH:34])[NH2:35])[C:28](=[N:41][C@@H:18]([CH3:5])[C:25](=[N:45][C@@H:23]([CH2:15][O:57][P:58]([OH:54])([OH:55])=[O:56])[C:30](=[N:44][C@@H:22]([CH2:13][CH:17]([CH3:3])[CH3:4])[C:27](=[N:40][CH2:14][C:24](=[O:46])[OH:47])[OH:50])[OH:53])[OH:48])[OH:51])[OH:52])[OH:49])[NH2:33] |
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