| Properties | Image |
|---|
| MNX_ID | MNXM148674 |
 |
| reference | metacycM:CPD-16986 |
| formula | C28H28N4O3 |
| global charge | 0 |
| mol weight | 468.557 |
| InChIKey | XTLQWSBGQKPGCF-DTCQQCFZSA-N |
| InChI | InChI=1S/C28H28N4O3/c1-6-27(4,5)28-15-22-23-29-20-13-9-7-11-18(20)25(35)30(23)16(2)24(34)32(22)26(28)31(17(3)33)21-14-10-8-12-19(21)28/h6-14,16,22,26H,1,15H2,2-5H3/t16-,22+,26?,28-/m1/s1 |
| SMILES | C=CC(C)(C)[C@@]12C[C@H]3C4=NC5=CC=CC=C5C(=O)N4[C@H](C)C(=O)N3C1N(C(C)=O)C1=CC=CC=C12 |
MNX internals
| InChI (mnx) | InChI=1/C28H28N4O3/c1-6-27(4,5)28-15-22-23-29-20-13-9-7-11-18(20)25(35)30(23)16(2)24(34)32(22)26(28)31(17(3)33)21-14-10-8-12-19(21)28/h6-14,16,22,26H,1,15H2,2-5H3/t16-,22+,26?,28-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:6][C:27]([CH3:4])([CH3:5])[C@@:28]12[CH2:15][C@H:22]3[C:23]4=[N:29][C:20]5=[CH:13][CH:9]=[CH:7][CH:11]=[C:18]5[C:25](=[O:35])[N:30]4[C@H:16]([CH3:2])[C:24](=[O:34])[N:32]3[CH:26]1[N:31]([C:17]([CH3:3])=[O:33])[C:21]1=[CH:14][CH:10]=[CH:8][CH:12]=[C:19]12 |
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