| Properties | Image |
|---|
| MNX_ID | MNXM5786 |
 |
| reference | chebi:80572 |
| formula | C28H51N9O10S2 |
| global charge | 0 |
| mol weight | 737.903 |
| InChIKey | XMVRDWGUVWNOBX-MUGJNUQGSA-N |
| InChI | InChI=1S/C28H51N9O10S2/c29-17(27(44)45)5-7-21(38)36-19(15-48)25(42)34-13-23(40)32-11-3-1-2-9-31-10-4-12-33-24(41)14-35-26(43)20(16-49)37-22(39)8-6-18(30)28(46)47/h17-20,31,48-49H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H51N9O10S2/c29-17(27(44)45)5-7-21(38)36-19(15-48)25(42)34-13-23(40)32-11-3-1-2-9-31-10-4-12-33-24(41)14-35-26(43)20(16-49)37-22(39)8-6-18(30)28(46)47/h17-20,31,48-49H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:9][NH:31][CH2:10][CH2:4][CH2:12][N:33]=[C:24]([CH2:14][N:35]=[C:26]([C@H:20]([CH2:16][SH:49])[N:37]=[C:22]([CH2:8][CH2:6][C@@H:18]([C:28](=[O:46])[OH:47])[NH2:30])[OH:39])[OH:43])[OH:41])[CH2:3][CH2:11][N:32]=[C:23]([CH2:13][N:34]=[C:25]([C@H:19]([CH2:15][SH:48])[N:36]=[C:21]([CH2:7][CH2:5][C@@H:17]([C:27](=[O:44])[OH:45])[NH2:29])[OH:38])[OH:42])[OH:40] |
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