| Properties | Image |
| MNX_ID | MNXM169593 |
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| reference | chebi:128844 |
| formula | C27H34N4O4 |
| global charge | 0 |
| mol weight | 478.593 |
| InChIKey | KZIDXGDKWGRCPF-QHCPKHFHSA-N |
| InChI | InChI=1S/C27H34N4O4/c1-4-10-28-26(33)31-16-27(17-31)15-30(13-18-6-5-7-19(11-18)34-2)23(14-32)25-24(27)21-9-8-20(35-3)12-22(21)29-25/h5-9,11-12,23,29,32H,4,10,13-17H2,1-3H3,(H,28,33)/t23-/m0/s1 |
| SMILES | CCCNC(=O)N1CC2(C1)CN(CC1=CC(OC)=CC=C1)[C@@H](CO)C1=C2C2=C(C=C(OC)C=C2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C27H34N4O4/c1-4-10-28-26(33)31-16-27(17-31)15-30(13-18-6-5-7-19(11-18)34-2)23(14-32)25-24(27)21-9-8-20(35-3)12-22(21)29-25/h5-9,11-12,23,29,32H,4,10,13-17H2,1-3H3,(H,28,33)/t23-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:10][N:28]=[C:26]([N:31]1[CH2:16][C:27]2([CH2:15][N:30]([CH2:13][C:18]3=[CH:11][C:19]([O:34][CH3:2])=[CH:7][CH:5]=[CH:6]3)[C@@H:23]([CH2:14][OH:32])[C:25]3=[C:24]2[C:21]2=[C:22]([CH:12]=[C:20]([O:35][CH3:3])[CH:8]=[CH:9]2)[NH:29]3)[CH2:17]1)[OH:33] |
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