| Properties | Image |
|---|
| MNX_ID | MNXM1126154 |
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| reference | chebi:163568 |
| formula | C16H23N3O7 |
| global charge | 0 |
| mol weight | 369.374 |
| InChIKey | OQSQCUWQOIHECT-YJRXYDGGSA-N |
| InChI | InChI=1S/C16H23N3O7/c1-8(21)13(16(25)26)19-15(24)12(18-14(23)11(17)7-20)6-9-2-4-10(22)5-3-9/h2-5,8,11-13,20-22H,6-7,17H2,1H3,(H,18,23)(H,19,24)(H,25,26)/t8-,11+,12+,13+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H23N3O7/c1-8(21)13(16(25)26)19-15(24)12(18-14(23)11(17)7-20)6-9-2-4-10(22)5-3-9/h2-5,8,11-13,20-22H,6-7,17H2,1H3,(H,18,23)(H,19,24)(H,25,26)/t8-,11+,12+,13+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:13]([C:16](=[O:25])[OH:26])[N:19]=[C:15]([C@H:12]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:22])[CH:4]=[CH:2]1)[N:18]=[C:14]([C@H:11]([CH2:7][OH:20])[NH2:17])[OH:23])[OH:24])[OH:21] |
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