| Properties | Image |
|---|
| MNX_ID | MNXM45222 |
 |
| reference | chebi:51923 |
| formula | C65H69N5O24S2 |
| global charge | 0 |
| mol weight | 1368.412 |
| InChIKey | IDMLRIMDYVWWRJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C65H69N5O24S2/c1-39(71)86-35-90-57(75)31-69(32-58(76)91-36-87-40(2)72)52-15-5-6-16-54(52)84-25-26-85-55-29-45(17-20-53(55)70(33-59(77)92-37-88-41(3)73)34-60(78)93-38-89-42(4)74)66-95(79,80)46-18-19-47(56(30-46)96(81,82)83)61-50-27-43-11-7-21-67-23-9-13-48(62(43)67)64(50)94-65-49-14-10-24-68-22-8-12-44(63(49)68)28-51(61)65/h5-6,15-20,27-30,66H,7-14,21-26,31-38H2,1-4H3 |
| SMILES | CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)C1=CC=C(NS(=O)(=O)C2=CC=C(C3=C4C=C5CCC[N+]6=C5C(=C4OC4=C3C=C3CCCN5CCCC4=C35)CCC6)C(S(=O)(=O)[O-])=C2)C=C1OCCOC1=C(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C65H69N5O24S2/c1-39(71)86-35-90-57(75)31-69(32-58(76)91-36-87-40(2)72)52-15-5-6-16-54(52)84-25-26-85-55-29-45(17-20-53(55)70(33-59(77)92-37-88-41(3)73)34-60(78)93-38-89-42(4)74)66-95(79,80)46-18-19-47(56(30-46)96(81,82)83)61-50-27-43-11-7-21-67-23-9-13-48(62(43)67)64(50)94-65-49-14-10-24-68-22-8-12-44(63(49)68)28-51(61)65/h5-6,15-20,27-30,66H,7-14,21-26,31-38H2,1-4H3 |
 |
| SMILES (mnx) | [CH3:1][C:39](=[O:71])[O:86][CH2:35][O:90][C:57]([CH2:31][N:69]([CH2:32][C:58](=[O:76])[O:91][CH2:36][O:87][C:40]([CH3:2])=[O:72])[C:52]1=[CH:15][CH:5]=[CH:6][CH:16]=[C:54]1[O:84][CH2:25][CH2:26][O:85][C:55]1=[C:53]([N:70]([CH2:33][C:59](=[O:77])[O:92][CH2:37][O:88][C:41]([CH3:3])=[O:73])[CH2:34][C:60](=[O:78])[O:93][CH2:38][O:89][C:42]([CH3:4])=[O:74])[CH:20]=[CH:17][C:45]([NH:66][S:95]([C:46]2=[CH:30][C:56]([S:96](=[O:81])(=[O:82])[O-:83])=[C:47]([C:61]3=[C:51]4[CH:28]=[C:44]5[CH2:12][CH2:8][CH2:22][N:68]6[CH2:24][CH2:10][CH2:14][C:49](=[C:63]56)[C:65]4=[O+:94][C:64]4=[C:48]5[CH2:13][CH2:9][CH2:23][N:67]6[CH2:21][CH2:7][CH2:11][C:43](=[C:62]56)[CH:27]=[C:50]34)[CH:19]=[CH:18]2)(=[O:79])=[O:80])=[CH:29]1)=[O:75] |
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