| Properties | Image |
|---|
| MNX_ID | MNXM102110 |
 |
| reference | chebi:66668 |
| formula | C36H44N4O2 |
| global charge | 0 |
| mol weight | 564.774 |
| InChIKey | CANRNZBVKKQKEQ-CMEJLQAVSA-N |
| InChI | InChI=1S/C36H44N4O2/c41-26-12-13-31-28(21-26)27-14-17-37-32(33(27)38-31)29-23-36(42)16-8-4-1-2-5-9-18-39-20-15-30(29)35(24-39)22-25-11-7-3-6-10-19-40(25)34(35)36/h1,4,7,11-14,17,21,23,25,30,34,38,41-42H,2-3,5-6,8-10,15-16,18-20,22,24H2/b4-1+,11-7-/t25-,30-,34+,35-,36-/m0/s1 |
| SMILES | OC1=CC=C2NC3=C(C=CN=C3C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C\CCCCN6[C@H]34)C5)C2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H44N4O2/c41-26-12-13-31-28(21-26)27-14-17-37-32(33(27)38-31)29-23-36(42)16-8-4-1-2-5-9-18-39-20-15-30(29)35(24-39)22-25-11-7-3-6-10-19-40(25)34(35)36/h1,4,7,11-14,17,21,23,25,30,34,38,41-42H,2-3,5-6,8-10,15-16,18-20,22,24H2/b4-1+,11-7-/t25-,30-,34+,35-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4]/[CH2:8][CH2:16][C@:36]2([OH:42])[CH:23]=[C:29]([C:32]3=[C:33]4[C:27](=[CH:14][CH:17]=[N:37]3)[C:28]3=[C:31]([CH:13]=[CH:12][C:26]([OH:41])=[CH:21]3)[NH:38]4)[C@@H:30]3[CH2:15][CH2:20][N:39]([CH2:18][CH2:9][CH2:5][CH2:2]/1)[CH2:24][C@@:35]31[CH2:22][C@@H:25]3/[CH:11]=[CH:7]\[CH2:3][CH2:6][CH2:10][CH2:19][N:40]3[C@H:34]12 |
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