| Properties | Image |
|---|
| MNX_ID | MNXM167778 |
 |
| reference | biggM:CE1665 |
| formula | C15H22N4O9S |
| global charge | -2 |
| mol weight | 434.427 |
| InChIKey | OGLXGJROORSDLD-IWSPIJDZSA-L |
| InChI | InChI=1S/C15H24N4O9S/c16-7(14(25)26)1-3-10(20)18-8(15(27)28)2-4-11(21)19-9(6-29)13(24)17-5-12(22)23/h7-9,29H,1-6,16H2,(H,17,24)(H,18,20)(H,19,21)(H,22,23)(H,25,26)(H,27,28)/p-2/t7-,8-,9-/m1/s1 |
| SMILES | N[C@H](CCC([O-])=N[C@H](CCC([O-])=N[C@H](CS)C(O)=NCC(=O)O)C(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H24N4O9S/c16-7(14(25)26)1-3-10(20)18-8(15(27)28)2-4-11(21)19-9(6-29)13(24)17-5-12(22)23/h7-9,29H,1-6,16H2,(H,17,24)(H,18,20)(H,19,21)(H,22,23)(H,25,26)(H,27,28)/t7-,8-,9-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:3][C:10](=[N:18][C@H:8]([CH2:2][CH2:4][C:11](=[N:19][C@H:9]([CH2:6][SH:29])[C:13](=[N:17][CH2:5][C:12](=[O:22])[OH:23])[OH:24])[OH:21])[C:15](=[O:27])[OH:28])[OH:20])[C@H:7]([C:14](=[O:25])[OH:26])[NH2:16] |
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