| Properties | Image |
|---|
| MNX_ID | MNXM1192765 |
 |
| reference | envipathM:...514cfb6fcaa9 |
| formula | C43H57N11O21 |
| global charge | -4 |
| mol weight | 1063.985 |
| InChIKey | UZCVRQUCLMRUME-RPJATMNQSA-J |
| InChI | InChI=1S/C43H61N11O21/c1-18(11-30(58)59)34(41(72)53-26(12-28(56)21-7-4-5-8-22(21)45)43(74)75-20(3)35(66)42(73)48-16-33(64)65)54-40(71)27(17-55)50-29(57)15-47-38(69)24(13-31(60)61)51-36(67)19(2)49-39(70)25(14-32(62)63)52-37(68)23(46)9-6-10-44/h4-5,7-8,18-20,23-27,34,55H,6,9-17,44-46H2,1-3H3,(H,47,69)(H,48,73)(H,49,70)(H,50,57)(H,51,67)(H,52,68)(H,53,72)(H,54,71)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/p-4/t18-,19-,20-,23+,24+,25+,26+,27-,34+/m1/s1 |
| SMILES | C[C@H](CC(=O)[O-])[C@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(=O)C1=C(N)C=CC=C1)C(=O)O[C@H](C)C(=O)C(=O)NCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C43H61N11O21/c1-18(11-30(58)59)34(41(72)53-26(12-28(56)21-7-4-5-8-22(21)45)43(74)75-20(3)35(66)42(73)48-16-33(64)65)54-40(71)27(17-55)50-29(57)15-47-38(69)24(13-31(60)61)51-36(67)19(2)49-39(70)25(14-32(62)63)52-37(68)23(46)9-6-10-44/h4-5,7-8,18-20,23-27,34,55H,6,9-17,44-46H2,1-3H3,(H,47,69)(H,48,73)(H,49,70)(H,50,57)(H,51,67)(H,52,68)(H,53,72)(H,54,71)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/t18-,19-,20-,23+,24+,25+,26+,27-,34+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:18]([CH2:11][C:30](=[O:58])[OH:59])[C@@H:34]([C:41](=[N:53][C@@H:26]([CH2:12][C:28]([C:21]1=[CH:7][CH:4]=[CH:5][CH:8]=[C:22]1[NH2:45])=[O:56])[C:43](=[O:74])[O:75][C@H:20]([CH3:3])[C:35]([C:42]([NH:48][CH2:16][C:33](=[O:64])[OH:65])=[O:73])=[O:66])[OH:72])[N:54]=[C:40]([C@@H:27]([CH2:17][OH:55])[N:50]=[C:29]([CH2:15][N:47]=[C:38]([C@H:24]([CH2:13][C:31](=[O:60])[OH:61])[N:51]=[C:36]([C@@H:19]([CH3:2])[N:49]=[C:39]([C@H:25]([CH2:14][C:32](=[O:62])[OH:63])[N:52]=[C:37]([C@H:23]([CH2:9][CH2:6][CH2:10][NH2:44])[NH2:46])[OH:68])[OH:70])[OH:67])[OH:69])[OH:57])[OH:71] |
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