| Properties | Image |
|---|
| MNX_ID | MNXM46021 |
 |
| reference | chebi:135833 |
| formula | C23H28N4O11S |
| global charge | 0 |
| mol weight | 568.561 |
| InChIKey | MGYPWVCKENORQX-KMMUMHRISA-N |
| InChI | InChI=1S/C23H28N4O11S/c1-11(38-21(31)23(2,3)33-4)37-20(30)16-12(9-36-22(24)32)10-39-19-15(18(29)27(16)19)25-17(28)14(26-34-5)13-7-6-8-35-13/h6-8,11,15,19H,9-10H2,1-5H3,(H2,24,32)(H,25,28)/b26-14-/t11?,15-,19-/m1/s1 |
| SMILES | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(=O)C(C)(C)OC)=C(COC(N)=O)CS[C@H]12)C1=CC=CO1 |
MNX internals
| InChI (mnx) | InChI=1/C23H28N4O11S/c1-11(38-21(31)23(2,3)33-4)37-20(30)16-12(9-36-22(24)32)10-39-19-15(18(29)27(16)19)25-17(28)14(26-34-5)13-7-6-8-35-13/h6-8,11,15,19H,9-10H2,1-5H3,(H2,24,32)(H,25,28)/b26-14-/t11?,15-,19-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:11]([O:37][C:20]([C:16]1=[C:12]([CH2:9][O:36][C:22](=[NH:24])[OH:32])[CH2:10][S:39][C@@H:19]2[C@H:15](/[N:25]=[C:17]([C:14](/[C:13]3=[CH:7][CH:6]=[CH:8][O:35]3)=[N:26]\[O:34][CH3:5])\[OH:28])[C:18](=[O:29])[N:27]12)=[O:30])[O:38][C:21]([C:23]([CH3:2])([CH3:3])[O:33][CH3:4])=[O:31] |
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