| Properties | Image |
MNX_ID | MNXM344571 |
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reference | chebi:100107 |
formula | C19H31N3O5 |
global charge | 0 |
mol weight | 381.473 |
InChIKey | RNIDAHWWXILMTD-BBWFWOEESA-N |
InChI | InChI=1S/C19H31N3O5/c23-13-17-16(21-19(25)20-14-4-2-1-3-5-14)7-6-15(27-17)12-18(24)22-8-10-26-11-9-22/h6-7,14-17,23H,1-5,8-13H2,(H2,20,21,25)/t15-,16+,17-/m0/s1 |
SMILES | O=C(NC1CCCCC1)N[C@@H]1C=C[C@@H](CC(=O)N2CCOCC2)O[C@H]1CO |
MNX internals
InChI (mnx) | InChI=1/C19H31N3O5/c23-13-17-16(21-19(25)20-14-4-2-1-3-5-14)7-6-15(27-17)12-18(24)22-8-10-26-11-9-22/h6-7,14-17,23H,1-5,8-13H2,(H2,20,21,25)/t15-,16+,17-/m0/s1 |
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SMILES (mnx) | [CH2:1]1[CH2:2][CH2:4][CH:14]([N:20]=[C:19]([NH:21][C@@H:16]2[CH:7]=[CH:6][C@@H:15]([CH2:12][C:18]([N:22]3[CH2:8][CH2:10][O:26][CH2:11][CH2:9]3)=[O:24])[O:27][C@H:17]2[CH2:13][OH:23])[OH:25])[CH2:5][CH2:3]1 |
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