| Properties | Image |
MNX_ID | MNXM101954 |
 |
reference | chebi:71549 |
formula | C24H25NO5 |
global charge | 0 |
mol weight | 407.466 |
InChIKey | YYUSZVUKKRMJFD-HAHIRZQVSA-N |
InChI | InChI=1S/C24H25NO5/c25-24(23(29)16-9-5-2-6-10-16)18-13-17(22(24)15-7-3-1-4-8-15)14-19(18)30-21(28)12-11-20(26)27/h1-10,17-19,22H,11-14,25H2,(H,26,27)/t17-,18+,19?,22-,24-/m1/s1 |
SMILES | N[C@@]1(C(=O)C2=CC=CC=C2)[C@H](C2=CC=CC=C2)[C@H]2CC(OC(=O)CCC(=O)O)[C@@H]1C2 |
MNX internals
InChI (mnx) | InChI=1/C24H25NO5/c25-24(23(29)16-9-5-2-6-10-16)18-13-17(22(24)15-7-3-1-4-8-15)14-19(18)30-21(28)12-11-20(26)27/h1-10,17-19,22H,11-14,25H2,(H,26,27)/t17-,18+,19?,22-,24-/m1/s1 |
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SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:15]([C@@H:22]2[C@@H:17]3[CH2:13][C@@H:18]([CH:19]([O:30][C:21]([CH2:12][CH2:11][C:20](=[O:26])[OH:27])=[O:28])[CH2:14]3)[C@@:24]2([C:23]([C:16]2=[CH:9][CH:5]=[CH:2][CH:6]=[CH:10]2)=[O:29])[NH2:25])[CH:8]=[CH:4]1 |
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