| Properties | Image |
|---|
| MNX_ID | MNXM1122950 |
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| reference | chebi:160348 |
| formula | C19H27N5O4 |
| global charge | 0 |
| mol weight | 389.456 |
| InChIKey | CFOLERIRBUAYAD-HOCLYGCPSA-N |
| InChI | InChI=1S/C19H27N5O4/c20-8-4-3-6-14(21)18(27)24-16(19(28)23-11-17(25)26)9-12-10-22-15-7-2-1-5-13(12)15/h1-2,5,7,10,14,16,22H,3-4,6,8-9,11,20-21H2,(H,23,28)(H,24,27)(H,25,26)/t14-,16-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H27N5O4/c20-8-4-3-6-14(21)18(27)24-16(19(28)23-11-17(25)26)9-12-10-22-15-7-2-1-5-13(12)15/h1-2,5,7,10,14,16,22H,3-4,6,8-9,11,20-21H2,(H,23,28)(H,24,27)(H,25,26)/t14-,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:15]2[C:13](=[CH:5]1)[C:12]([CH2:9][C@@H:16]([C:19](=[N:23][CH2:11][C:17](=[O:25])[OH:26])[OH:28])[N:24]=[C:18]([C@H:14]([CH2:6][CH2:3][CH2:4][CH2:8][NH2:20])[NH2:21])[OH:27])=[CH:10][NH:22]2 |
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