| Properties | Image |
|---|
| MNX_ID | MNXM528499 |
 |
| reference | chebi:101188 |
| formula | C37H46N4O4 |
| global charge | 0 |
| mol weight | 610.799 |
| InChIKey | UJZHWGMAKJZUOC-JRRLLMCYSA-N |
| InChI | InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32-,33+/m1/s1 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@@H](CC1=CC=CC=C1)N(C)C)C1=CC=CC=C1N2C |
MNX internals
| InChI (mnx) | InChI=1/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26-,32-,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:25]1[CH2:21][N:41]([C@H:26]([CH3:2])[CH2:23][OH:42])[C:37](=[O:44])[C:35]2=[C:34]([C:29]3=[CH:17][CH:11]=[CH:10][CH:16]=[C:28]3[CH2:24][O:45][C@H:33]1[CH2:22][N:39]([CH3:5])[C:36]([C@@H:32]([CH2:20][C:27]1=[CH:14][CH:8]=[CH:7][CH:9]=[CH:15]1)[N:38]([CH3:3])[CH3:4])=[O:43])[C:30]1=[CH:18][CH:12]=[CH:13][CH:19]=[C:31]1[N:40]2[CH3:6] |
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