| Properties | Image |
|---|
| MNX_ID | MNXM1134061 |
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| reference | metacycM:CPD-21834 |
| formula | C21H28N4O11PS*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=CC=C([N+](=O)[O-])C=C1)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C23H35N4O11PS/c1-15(28)18(24-4)13-37-39(35,36)38-14-23(2,3)20(30)21(31)26-10-9-19(29)25-11-12-40-22(32)16-5-7-17(8-6-16)27(33)34/h5-8,18,20,24,30H,9-14H2,1-4H3,(H,25,29)(H,26,31)(H,35,36)/t18-,20-/m0/s1/i1+1,4+1 |
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| SMILES (mnx) | [13CH3:1][C:15]([C@H:18]([CH2:13][O:37][P:39]([OH:35])(=[O:36])[O:38][CH2:14][C:23]([CH3:2])([CH3:3])[C@H:20]([C:21](=[N:26][CH2:10][CH2:9][C:19](=[N:25][CH2:11][CH2:12][S:40][C:22]([C:16]1=[CH:6][CH:8]=[C:17]([N+:27]([O-:33])=[O:34])[CH:7]=[CH:5]1)=[O:32])[OH:29])[OH:31])[OH:30])[NH:24][13CH3:4])=[O:28] |
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