| Properties | Image |
|---|
| MNX_ID | MNXM38254 |
 |
| reference | chebi:43927 |
| formula | C28H46N4O3 |
| global charge | 0 |
| mol weight | 486.701 |
| InChIKey | CJMJXTWMGXRFOM-FKTURHEWSA-N |
| InChI | InChI=1S/C28H46N4O3/c1-21-19-32(20-22(2)34-21)16-11-9-7-6-8-10-15-29-27(33)35-23-12-13-25-24(18-23)28(3)14-17-30(4)26(28)31(25)5/h12-13,18,21-22,26H,6-11,14-17,19-20H2,1-5H3,(H,29,33)/t21-,22+,26-,28+/m1/s1 |
| SMILES | C[C@@H]1CN(CCCCCCCCNC(=O)OC2=CC3=C(C=C2)N(C)[C@H]2N(C)CC[C@@]32C)C[C@H](C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C28H46N4O3/c1-21-19-32(20-22(2)34-21)16-11-9-7-6-8-10-15-29-27(33)35-23-12-13-25-24(18-23)28(3)14-17-30(4)26(28)31(25)5/h12-13,18,21-22,26H,6-11,14-17,19-20H2,1-5H3,(H,29,33)/t21-,22+,26-,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21]1[CH2:19][N:32]([CH2:16][CH2:11][CH2:9][CH2:7][CH2:6][CH2:8][CH2:10][CH2:15][N:29]=[C:27]([OH:33])[O:35][C:23]2=[CH:18][C:24]3=[C:25]([CH:13]=[CH:12]2)[N:31]([CH3:5])[C@@H:26]2[C@@:28]3([CH3:3])[CH2:14][CH2:17][N:30]2[CH3:4])[CH2:20][C@H:22]([CH3:2])[O:34]1 |
|