| Properties | Image |
|---|
| MNX_ID | MNXM3429 |
 |
| reference | biggM:10fthf6glu |
| formula | C45H51N12O22 |
| global charge | -7 |
| mol weight | 1111.965 |
| InChIKey | SFFBEUFYOPMKMV-CWMPVMSNSA-G |
| InChI | InChI=1S/C45H58N12O22/c46-45-55-36-35(38(67)56-45)48-21(17-47-36)18-57(19-58)22-3-1-20(2-4-22)37(66)54-28(44(78)79)9-15-33(63)52-26(42(74)75)7-13-31(61)50-24(40(70)71)5-11-29(59)49-23(39(68)69)6-12-30(60)51-25(41(72)73)8-14-32(62)53-27(43(76)77)10-16-34(64)65/h1-4,19,21,23-28,48H,5-18H2,(H,49,59)(H,50,61)(H,51,60)(H,52,63)(H,53,62)(H,54,66)(H,64,65)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H4,46,47,55,56,67)/p-7/t21?,23?,24?,25?,26?,27?,28-/m1/s1 |
| SMILES | [H]/N=C1\N=C([O-])C2=C(NCC(CN(C=O)C3=CC=C(C(=O)N[C@H](CCC([O-])=NC(CCC([O-])=NC(CCC([O-])=NC(CCC([O-])=NC(CCC([O-])=NC(CCC(=O)[O-])C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C=C3)N2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C45H58N12O22/c46-45-55-36-35(38(67)56-45)48-21(17-47-36)18-57(19-58)22-3-1-20(2-4-22)37(66)54-28(44(78)79)9-15-33(63)52-26(42(74)75)7-13-31(61)50-24(40(70)71)5-11-29(59)49-23(39(68)69)6-12-30(60)51-25(41(72)73)8-14-32(62)53-27(43(76)77)10-16-34(64)65/h1-4,19,21,23-28,48H,5-18H2,(H,49,59)(H,50,61)(H,51,60)(H,52,63)(H,53,62)(H,54,66)(H,64,65)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H4,46,47,55,56,67)/t21?,23?,24?,25?,26?,27?,28-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:22]([N:57]([CH2:18][CH:21]2[CH2:17][NH:47][C:36]3=[C:35]([C:38]([OH:67])=[N:56][C:45](=[NH:46])[NH:55]3)[NH:48]2)[CH:19]=[O:58])=[CH:4][CH:2]=[C:20]1[C:37]([NH:54][C@H:28]([CH2:9][CH2:15][C:33](=[N:52][CH:26]([CH2:7][CH2:13][C:31](=[N:50][CH:24]([CH2:5][CH2:11][C:29](=[N:49][CH:23]([CH2:6][CH2:12][C:30](=[N:51][CH:25]([CH2:8][CH2:14][C:32](=[N:53][CH:27]([CH2:10][CH2:16][C:34](=[O:64])[OH:65])[C:43](=[O:76])[OH:77])[OH:62])[C:41](=[O:72])[OH:73])[OH:60])[C:39](=[O:68])[OH:69])[OH:59])[C:40](=[O:70])[OH:71])[OH:61])[C:42](=[O:74])[OH:75])[OH:63])[C:44](=[O:78])[OH:79])=[O:66] |
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