| Properties | Image |
|---|
| MNX_ID | MNXM1174423 |
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| reference | envipathM:...e561a5d7bbbc |
| formula | C30H31N3O7 |
| global charge | 0 |
| mol weight | 545.592 |
| InChIKey | XZRGZMHWTRCMAM-UHFFFAOYSA-N |
| InChI | InChI=1S/C30H31N3O7/c1-2-27(35)18-23-7-13-25(14-8-23)32-29(37)39-16-15-28(36)19-40-30(38)33-26-11-5-22(6-12-26)17-21-3-9-24(10-4-21)31-20-34/h3-14,28,36H,2,15-19H2,1H3,(H,32,37)(H,33,38) |
| SMILES | CCC(=O)CC1=CC=C(NC(=O)OCCC(O)COC(=O)NC2=CC=C(CC3=CC=C(N=C=O)C=C3)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H31N3O7/c1-2-27(35)18-23-7-13-25(14-8-23)32-29(37)39-16-15-28(36)19-40-30(38)33-26-11-5-22(6-12-26)17-21-3-9-24(10-4-21)31-20-34/h3-14,28,36H,2,15-19H2,1H3,(H,32,37)(H,33,38)/t28? |
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| SMILES (mnx) | [CH3:1][CH2:2][C:27]([CH2:18][C:23]1=[CH:8][CH:14]=[C:25]([NH:32][C:29](=[O:37])[O:39][CH2:16][CH2:15][CH:28]([CH2:19][O:40][C:30]([NH:33][C:26]2=[CH:12][CH:6]=[C:22]([CH2:17][C:21]3=[CH:4][CH:10]=[C:24]([N:31]=[C:20]=[O:34])[CH:9]=[CH:3]3)[CH:5]=[CH:11]2)=[O:38])[OH:36])[CH:13]=[CH:7]1)=[O:35] |
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