| Properties | Image |
|---|
| MNX_ID | MNXM1100473 |
 |
| reference | chebi:192687 |
| formula | C27H39N3O2 |
| global charge | 0 |
| mol weight | 437.628 |
| InChIKey | KISDGNGREAJPQR-OICBGKIFSA-N |
| InChI | InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1 |
| SMILES | C=C[C@@](C)(CCC=C(C)C)C1=C2NC=C3C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)C(=C32)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:8][C@@:27]([CH3:6])([CH2:13][CH2:9][CH:10]=[C:17]([CH3:2])[CH3:3])[C:21]1=[C:24]2[C:23]3=[C:22]([CH:12]=[CH:11]1)[N:30]([CH3:7])[C@@H:25]([CH:18]([CH3:4])[CH3:5])[C:26]([OH:32])=[N:29][C@H:20]([CH2:16][OH:31])[CH2:14][C:19]3=[CH:15][NH:28]2 |
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