| Properties | Image |
| MNX_ID | MNXM1371089 |
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| reference | sabiorkM:25538 |
| formula | C15H23N3O4 |
| global charge | 0 |
| mol weight | 309.366 |
| InChIKey | MYTOTTSMVMWVJN-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H23N3O4/c16-8-2-1-3-12(17)14(20)18-13(15(21)22)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22) |
| SMILES | NCCCCC(N)C(O)=NC(CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H23N3O4/c16-8-2-1-3-12(17)14(20)18-13(15(21)22)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)/t12?,13? |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:16])[CH2:3][CH:12]([C:14](=[N:18][CH:13]([CH2:9][C:10]1=[CH:5][CH:7]=[C:11]([OH:19])[CH:6]=[CH:4]1)[C:15](=[O:21])[OH:22])[OH:20])[NH2:17] |
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