| Properties | Image |
|---|
| MNX_ID | MNXM730975 |
 |
| reference | biggM:CE5026 |
| formula | C19H25N4O10S |
| global charge | -1 |
| mol weight | 501.494 |
| InChIKey | QPUCCRKMCAEIND-JRUYECLLSA-M |
| InChI | InChI=1S/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/p-1/t9-,10?,11-/m0/s1 |
| SMILES | [NH3+]C(CC1=CC(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])=C(O)C(O)=C1)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/t9-,10?,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:14](=[N:23][C@@H:11]([CH2:7][S:34][C:13]1=[CH:5][C:8]([CH2:3][CH:10]([C:19](=[O:32])[OH:33])[NH2:21])=[CH:4][C:12]([OH:24])=[C:16]1[OH:28])[C:17](=[N:22][CH2:6][C:15](=[O:26])[OH:27])[OH:29])[OH:25])[C@@H:9]([C:18](=[O:30])[OH:31])[NH2:20] |
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