| Properties | Image |
|---|
| MNX_ID | MNXM165100 |
 |
| reference | metacycM:QXC-ACP |
| formula | C23H29N5O9PS*2 |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=NC2=CC=CC=C2N=C1)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C25H36N5O9PS/c1-16(31)20(26-4)14-38-40(36,37)39-15-25(2,3)22(33)23(34)28-10-9-21(32)27-11-12-41-24(35)19-13-29-17-7-5-6-8-18(17)30-19/h5-8,13,20,22,26,33H,9-12,14-15H2,1-4H3,(H,27,32)(H,28,34)(H,36,37)/t20-,22-/m0/s1/i1+1,4+1 |
 |
| SMILES (mnx) | [13CH3:1][C:16]([C@H:20]([CH2:14][O:38][P:40]([OH:36])(=[O:37])[O:39][CH2:15][C:25]([CH3:2])([CH3:3])[C@H:22]([C:23](=[N:28][CH2:10][CH2:9][C:21](=[N:27][CH2:11][CH2:12][S:41][C:24]([C:19]1=[N:30][C:18]2=[CH:8][CH:6]=[CH:5][CH:7]=[C:17]2[N:29]=[CH:13]1)=[O:35])[OH:32])[OH:34])[OH:33])[NH:26][13CH3:4])=[O:31] |
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