| Properties | Image |
|---|
| MNX_ID | MNXM42975 |
 |
| reference | chebi:51785 |
| formula | C28H33N3O7 |
| global charge | 0 |
| mol weight | 523.586 |
| InChIKey | CUWXBTJMNRLPKT-UHFFFAOYSA-N |
| InChI | InChI=1S/C28H33N3O7/c1-5-37-26(35)20-14-18-13-19-17(2)16-28(3,4)31(21(19)15-22(18)38-27(20)36)11-6-7-23(32)29-10-12-30-24(33)8-9-25(30)34/h8-9,13-15,17H,5-7,10-12,16H2,1-4H3,(H,29,32) |
| SMILES | CCOC(=O)C1=CC2=CC3=C(C=C2OC1=O)N(CCCC(=O)NCCN1C(=O)C=CC1=O)C(C)(C)CC3C |
MNX internals
| InChI (mnx) | InChI=1/C28H33N3O7/c1-5-37-26(35)20-14-18-13-19-17(2)16-28(3,4)31(21(19)15-22(18)38-27(20)36)11-6-7-23(32)29-10-12-30-24(33)8-9-25(30)34/h8-9,13-15,17H,5-7,10-12,16H2,1-4H3,(H,29,32)/t17? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][O:37][C:26]([C:20]1=[CH:14][C:18]2=[CH:13][C:19]3=[C:21]([CH:15]=[C:22]2[O:38][C:27]1=[O:36])[N:31]([CH2:11][CH2:6][CH2:7][C:23](=[N:29][CH2:10][CH2:12][N:30]1[C:24](=[O:33])[CH:8]=[CH:9][C:25]1=[O:34])[OH:32])[C:28]([CH3:3])([CH3:4])[CH2:16][CH:17]3[CH3:2])=[O:35] |
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