| Properties | Image |
|---|
| MNX_ID | MNXM10505 |
 |
| reference | metacycM:CPD-14417 |
| formula | C34H57N16O16 |
| global charge | -1 |
| mol weight | 945.926 |
| InChIKey | XGIYQBSRCUVADZ-RBZZARIASA-M |
| InChI | InChI=1S/C34H58N16O16/c35-14(10-21(51)45-15(28(59)60)4-1-7-42-32(36)37)25(56)48-18(11-22(52)46-16(29(61)62)5-2-8-43-33(38)39)26(57)49-19(27(58)50-20(31(65)66)13-24(54)55)12-23(53)47-17(30(63)64)6-3-9-44-34(40)41/h14-20H,1-13,35H2,(H,45,51)(H,46,52)(H,47,53)(H,48,56)(H,49,57)(H,50,58)(H,54,55)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H4,36,37,42)(H4,38,39,43)(H4,40,41,44)/p-1/t14-,15-,16-,17-,18-,19-,20-/m0/s1 |
| SMILES | NC(=[NH2+])NCCC[C@H](NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])NC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C34H58N16O16/c35-14(10-21(51)45-15(28(59)60)4-1-7-42-32(36)37)25(56)48-18(11-22(52)46-16(29(61)62)5-2-8-43-33(38)39)26(57)49-19(27(58)50-20(31(65)66)13-24(54)55)12-23(53)47-17(30(63)64)6-3-9-44-34(40)41/h14-20H,1-13,35H2,(H,45,51)(H,46,52)(H,47,53)(H,48,56)(H,49,57)(H,50,58)(H,54,55)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H4,36,37,42)(H4,38,39,43)(H4,40,41,44)/t14-,15-,16-,17-,18-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:4][C@@H:15]([C:28](=[O:59])[OH:60])[N:45]=[C:21]([CH2:10][C@@H:14]([C:25](=[N:48][C@@H:18]([CH2:11][C:22](=[N:46][C@@H:16]([CH2:5][CH2:2][CH2:8][NH:43][C:33](=[NH:38])[NH2:39])[C:29](=[O:61])[OH:62])[OH:52])[C:26](=[N:49][C@@H:19]([CH2:12][C:23](=[N:47][C@@H:17]([CH2:6][CH2:3][CH2:9][NH:44][C:34](=[NH:40])[NH2:41])[C:30](=[O:63])[OH:64])[OH:53])[C:27](=[N:50][C@@H:20]([CH2:13][C:24](=[O:54])[OH:55])[C:31](=[O:65])[OH:66])[OH:58])[OH:57])[OH:56])[NH2:35])[OH:51])[CH2:7][NH:42][C:32](=[NH:36])[NH2:37] |
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