| Properties | Image |
|---|
| MNX_ID | MNXM18653 |
 |
| reference | metacycM:CPDQT-425 |
| formula | C19H23N4O6S |
| global charge | -1 |
| mol weight | 435.482 |
| InChIKey | LLXMBNSNAAVMLO-ZFWWWQNUSA-M |
| InChI | InChI=1S/C19H24N4O6S/c20-13(19(28)29)5-6-16(24)23-15(18(27)22-8-17(25)26)10-30-9-11-7-21-14-4-2-1-3-12(11)14/h1-4,7,13,15,21H,5-6,8-10,20H2,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/p-1/t13-,15-/m0/s1 |
| SMILES | [NH3+][C@@H](CCC(=O)N[C@@H](CSCC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H24N4O6S/c20-13(19(28)29)5-6-16(24)23-15(18(27)22-8-17(25)26)10-30-9-11-7-21-14-4-2-1-3-12(11)14/h1-4,7,13,15,21H,5-6,8-10,20H2,(H,22,27)(H,23,24)(H,25,26)(H,28,29)/t13-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:14]2[C:12](=[CH:3]1)[C:11]([CH2:9][S:30][CH2:10][C@@H:15]([C:18](=[N:22][CH2:8][C:17](=[O:25])[OH:26])[OH:27])[N:23]=[C:16]([CH2:6][CH2:5][C@@H:13]([C:19](=[O:28])[OH:29])[NH2:20])[OH:24])=[CH:7][NH:21]2 |
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