| Properties | Image |
|---|
| MNX_ID | MNXM103565 |
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| reference | chebi:65599 |
| formula | C17H23N3O5 |
| global charge | 0 |
| mol weight | 349.387 |
| InChIKey | ZERGYHMBBZCBJM-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H23N3O5/c18-8-4-5-9-19-15(21)12(10-11-6-2-1-3-7-11)20-16(22)13-14(25-13)17(23)24/h1-3,6-7,12-14H,4-5,8-10,18H2,(H,19,21)(H,20,22)(H,23,24)/t12-,13-,14-/m0/s1 |
| SMILES | NCCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]1O[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O5/c18-8-4-5-9-19-15(21)12(10-11-6-2-1-3-7-11)20-16(22)13-14(25-13)17(23)24/h1-3,6-7,12-14H,4-5,8-10,18H2,(H,19,21)(H,20,22)(H,23,24)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:11]([CH2:10][C@@H:12]([C:15](=[N:19][CH2:9][CH2:5][CH2:4][CH2:8][NH2:18])[OH:21])[N:20]=[C:16]([C@@H:13]2[C@@H:14]([C:17](=[O:23])[OH:24])[O:25]2)[OH:22])[CH:7]=[CH:3]1 |
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