| Properties | Image |
MNX_ID | MNXM164584 |
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reference | sabiorkM:20816 |
formula | C15H19N3O6 |
global charge | 0 |
mol weight | 337.332 |
InChIKey | SOUXAAOTONMPRY-NSHDSACASA-N |
InChI | InChI=1S/C15H19N3O6/c16-12(19)7-6-11(14(22)17-8-13(20)21)18-15(23)24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)/t11-/m0/s1 |
SMILES | N=C(O)CC[C@H](N=C(O)OCC1=CC=CC=C1)C(O)=NCC(=O)O |
MNX internals
InChI (mnx) | InChI=1/C15H19N3O6/c16-12(19)7-6-11(14(22)17-8-13(20)21)18-15(23)24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)/t11-/m0/s1 |
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SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:9][O:24][C:15](=[N:18][C@@H:11]([CH2:6][CH2:7][C:12](=[NH:16])[OH:19])[C:14](=[N:17][CH2:8][C:13](=[O:20])[OH:21])[OH:22])[OH:23])[CH:5]=[CH:3]1 |
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