| Properties | Image |
|---|
| MNX_ID | MNXM22518 |
 |
| reference | metacycM:CPD-13498 |
| formula | C19H29N5O10S2 |
| global charge | -2 |
| mol weight | 551.6 |
| InChIKey | LJNZZPWZIGKSTM-BJDJZHNGSA-L |
| InChI | InChI=1S/C19H31N5O10S2/c20-9(18(31)32)1-3-13(25)23-12(8-36)17(30)24-10(19(33)34)2-4-14(26)22-11(7-35)16(29)21-6-5-15(27)28/h9-12,35-36H,1-8,20H2,(H,21,29)(H,22,26)(H,23,25)(H,24,30)(H,27,28)(H,31,32)(H,33,34)/p-2/t9-,10-,11-,12-/m0/s1 |
| SMILES | [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(=O)[O-])C(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H31N5O10S2/c20-9(18(31)32)1-3-13(25)23-12(8-36)17(30)24-10(19(33)34)2-4-14(26)22-11(7-35)16(29)21-6-5-15(27)28/h9-12,35-36H,1-8,20H2,(H,21,29)(H,22,26)(H,23,25)(H,24,30)(H,27,28)(H,31,32)(H,33,34)/t9-,10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:3][C:13](=[N:23][C@@H:12]([CH2:8][SH:36])[C:17](=[N:24][C@@H:10]([CH2:2][CH2:4][C:14](=[N:22][C@@H:11]([CH2:7][SH:35])[C:16](=[N:21][CH2:6][CH2:5][C:15](=[O:27])[OH:28])[OH:29])[OH:26])[C:19](=[O:33])[OH:34])[OH:30])[OH:25])[C@@H:9]([C:18](=[O:31])[OH:32])[NH2:20] |
|