SMIRKS
[H]N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)[N:23]([C@:21]([C:19]([N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:118])([H:119])[H:120])([C:3]([H:55])([H:56])[H:57])[H:117])([H:115])[H:116])([C:51](=[O:52])[O:53][H:113])[H:114])[H:112])=[O:8])([H:110])[H:111])[H:109])=[O:12])([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])[H:108])[H:107])=[O:20])([C:22]([H:67])([H:68])[H:69])[H:106])[H:105])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]>>[H][N:23]([C@:21]([C:19]([N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:118])([H:119])[H:120])([C:3]([H:55])([H:56])[H:57])[H:117])([H:115])[H:116])([C:51](=[O:52])[O:53][H:113])[H:114])[H:112])=[O:8])([H:110])[H:111])[H:109])=[O:12])([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])[H:108])[H:107])=[O:20])([C:22]([H:67])([H:68])[H:69])[H:106])[H:105]
Derived Operators
EVODEX.1-F525 - Elemental Balance
| O | -4 |
| C | -19 |
| N | -4 |
| H | -34 |
EVODEX.1-M497 - Mass Difference
-382.25822
EVODEX.1-E1344 - Reaction Operator E
[#7:32](-[#6@:21])(-[#6](=[#8])-[#6@@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[H])-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H:119]>>[#7:32](-[#6@:21])(-[H:119])-[H]
EVODEX.1-C646 - Reaction Operator C
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:24])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:24]
EVODEX.1-N801 - Reaction Operator N
[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7](-[H])-[#6@](-[H])(-[#6](=[#8])-[#7:24](-[#6@:21])-[H:106])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]>>[H]-[#7:24](-[#6@:21])-[H:106]
Source Full Reactions
EVODEX.1-R5911
[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])([N:18]([C:19](=[O:20])[C@:21]([C:22]([H:67])([H:68])[H:69])([N:23]([C:24](=[O:25])[C@@:26]([N:27]([C:28](=[O:29])[C@:30]([C:31]([C:32]([C:33]([H:70])([H:71])[H:72])([C:34]([H:73])([H:74])[H:75])[H:76])([H:77])[H:78])([N:35]([C:36](=[O:37])[C@:38]([C:39]([C:40]([C:41]([H:79])([H:80])[H:81])([C:42]([H:82])([H:83])[H:84])[H:85])([H:86])[H:87])([N:43]([C:44](=[O:45])[C:46]([N:47]([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96])([C:48]([C:49]([H:97])([H:98])[H:99])([C:50]([H:100])([H:101])[H:102])[H:103])[H:104])[H:105])[H:106])[H:107])[H:108])[H:109])([H:110])[H:111])[H:112])([C:51](=[O:52])[O:53][H:113])[H:114])([H:115])[H:116])[H:117])([H:118])([H:119])[H:120].[H][O:54][H:121]>>[C:24](=[O:25])([C@@:26]([N:27]([C:28](=[O:29])[C@:30]([C:31]([C:32]([C:33]([H:70])([H:71])[H:72])([C:34]([H:73])([H:74])[H:75])[H:76])([H:77])[H:78])([N:35]([C:36](=[O:37])[C@:38]([C:39]([C:40]([C:41]([H:79])([H:80])[H:81])([C:42]([H:82])([H:83])[H:84])[H:85])([H:86])[H:87])([N:43]([C:44](=[O:45])[C:46]([N:47]([H:88])[H:89])([H:90])[H:91])[H:92])[H:93])[H:94])[H:95])[H:96])([C:48]([C:49]([H:97])([H:98])[H:99])([C:50]([H:100])([H:101])[H:102])[H:103])[H:104])[O:54][H:121].[H][N:23]([C@:21]([C:19]([N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C@@:5]([C:4]([C:2]([C:1]([H:118])([H:119])[H:120])([C:3]([H:55])([H:56])[H:57])[H:117])([H:115])[H:116])([C:51](=[O:52])[O:53][H:113])[H:114])[H:112])=[O:8])([H:110])[H:111])[H:109])=[O:12])([C:14]([C:15]([C:16]([H:58])([H:59])[H:60])([C:17]([H:61])([H:62])[H:63])[H:64])([H:65])[H:66])[H:108])[H:107])=[O:20])([C:22]([H:67])([H:68])[H:69])[H:106])[H:105]