| Properties | Image |
|---|
| MNX_ID | MNXM744963 |
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| reference | biggM:tyrcysthr |
| formula | C16H23N3O6S |
| global charge | 0 |
| mol weight | 385.442 |
| InChIKey | UMXSDHPSMROQRB-WRSRJMLGSA-N |
| InChI | InChI=1S/C16H23N3O6S/c1-8(20)13(16(24)25)19-15(23)12(7-26)18-14(22)11(17)6-9-2-4-10(21)5-3-9/h2-5,8,11-13,20-21,26H,6-7,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t8-,11-,12+,13-/m1/s1 |
| SMILES | C[C@@H](O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](N)CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N3O6S/c1-8(20)13(16(24)25)19-15(23)12(7-26)18-14(22)11(17)6-9-2-4-10(21)5-3-9/h2-5,8,11-13,20-21,26H,6-7,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t8-,11-,12+,13-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]([C@H:13]([C:16](=[O:24])[OH:25])[N:19]=[C:15]([C@H:12]([CH2:7][SH:26])[N:18]=[C:14]([C@@H:11]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:21])[CH:4]=[CH:2]1)[NH2:17])[OH:22])[OH:23])[OH:20] |
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