| Properties | Image |
|---|
| MNX_ID | MNXM157733 |
 |
| reference | chebi:78519 |
| formula | C73H126N20O15S |
| global charge | 0 |
| mol weight | 1556.003 |
| InChIKey | FYJKBFOGJAVCAL-MRBAVNCWSA-N |
| InChI | InChI=1S/C73H126N20O15S/c1-13-41(7)59(78)72(107)92-56(36-57(77)94)71(106)91-55(35-46-37-80-48-24-16-15-23-47(46)48)70(105)87-49(25-17-20-29-74)65(100)81-38-58(95)93-60(42(8)14-2)73(108)84-43(9)62(97)82-44(10)63(98)86-52(28-32-109-12)66(101)83-45(11)64(99)85-50(26-18-21-30-75)67(102)88-51(27-19-22-31-76)68(103)90-54(34-40(5)6)69(104)89-53(61(79)96)33-39(3)4/h15-16,23-24,37,39-45,49-56,59-60,80H,13-14,17-22,25-36,38,74-76,78H2,1-12H3,(H2,77,94)(H2,79,96)(H,81,100)(H,82,97)(H,83,101)(H,84,108)(H,85,99)(H,86,98)(H,87,105)(H,88,102)(H,89,104)(H,90,103)(H,91,106)(H,92,107)(H,93,95)/t41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C73H126N20O15S/c1-13-41(7)59(78)72(107)92-56(36-57(77)94)71(106)91-55(35-46-37-80-48-24-16-15-23-47(46)48)70(105)87-49(25-17-20-29-74)65(100)81-38-58(95)93-60(42(8)14-2)73(108)84-43(9)62(97)82-44(10)63(98)86-52(28-32-109-12)66(101)83-45(11)64(99)85-50(26-18-21-30-75)67(102)88-51(27-19-22-31-76)68(103)90-54(34-40(5)6)69(104)89-53(61(79)96)33-39(3)4/h15-16,23-24,37,39-45,49-56,59-60,80H,13-14,17-22,25-36,38,74-76,78H2,1-12H3,(H2,77,94)(H2,79,96)(H,81,100)(H,82,97)(H,83,101)(H,84,108)(H,85,99)(H,86,98)(H,87,105)(H,88,102)(H,89,104)(H,90,103)(H,91,106)(H,92,107)(H,93,95)/t41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:41]([CH3:7])[C@@H:59]([C:72](=[N:92][C@@H:56]([CH2:36][C:57](=[NH:77])[OH:94])[C:71](=[N:91][C@@H:55]([CH2:35][C:46]1=[CH:37][NH:80][C:48]2=[CH:24][CH:16]=[CH:15][CH:23]=[C:47]12)[C:70](=[N:87][C@@H:49]([CH2:25][CH2:17][CH2:20][CH2:29][NH2:74])[C:65](=[N:81][CH2:38][C:58](=[N:93][C@@H:60]([C@@H:42]([CH3:8])[CH2:14][CH3:2])[C:73](=[N:84][C@@H:43]([CH3:9])[C:62](=[N:82][C@@H:44]([CH3:10])[C:63](=[N:86][C@@H:52]([CH2:28][CH2:32][S:109][CH3:12])[C:66](=[N:83][C@@H:45]([CH3:11])[C:64](=[N:85][C@@H:50]([CH2:26][CH2:18][CH2:21][CH2:30][NH2:75])[C:67](=[N:88][C@@H:51]([CH2:27][CH2:19][CH2:22][CH2:31][NH2:76])[C:68](=[N:90][C@@H:54]([CH2:34][CH:40]([CH3:5])[CH3:6])[C:69](=[N:89][C@@H:53]([CH2:33][CH:39]([CH3:3])[CH3:4])[C:61](=[NH:79])[OH:96])[OH:104])[OH:103])[OH:102])[OH:99])[OH:101])[OH:98])[OH:97])[OH:108])[OH:95])[OH:100])[OH:105])[OH:106])[OH:107])[NH2:78] |
|