| Properties | Image |
|---|
| MNX_ID | MNXM9816 |
 |
| reference | metacycM:CPD-11894 |
| formula | C26H21N3O5 |
| global charge | 0 |
| mol weight | 455.47 |
| InChIKey | QWJLBEPYDDXTGB-JXNZKRHSSA-N |
| InChI | InChI=1S/C26H21N3O5/c1-12-26(33,25(31)32)10-18(34-12)29-17-9-5-3-7-14(17)20-21-15(11-27-24(21)30)19-13-6-2-4-8-16(13)28-22(19)23(20)29/h2-9,12,18,28,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t12-,18?,26-/m0/s1 |
| SMILES | C[C@@H]1OC(N2C3=CC=CC=C3C3=C4C(=O)NCC4=C4C5=CC=CC=C5NC4=C32)C[C@@]1(O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H21N3O5/c1-12-26(33,25(31)32)10-18(34-12)29-17-9-5-3-7-14(17)20-21-15(11-27-24(21)30)19-13-6-2-4-8-16(13)28-22(19)23(20)29/h2-9,12,18,28,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t12-,18?,26-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:12]1[C@@:26]([C:25](=[O:31])[OH:32])([OH:33])[CH2:10][CH:18]([N:29]2[C:17]3=[CH:9][CH:5]=[CH:3][CH:7]=[C:14]3[C:20]3=[C:21]4[C:15](=[C:19]5[C:13]6=[CH:6][CH:2]=[CH:4][CH:8]=[C:16]6[NH:28][C:22]5=[C:23]32)[CH2:11][N:27]=[C:24]4[OH:30])[O:34]1 |
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