| Properties | Image |
|---|
| MNX_ID | MNXM1100923 |
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| reference | chebi:192688 |
| formula | C27H39N3O3 |
| global charge | 0 |
| mol weight | 453.627 |
| InChIKey | RLQWNZUFDRUTMZ-LERHOHMLSA-N |
| InChI | InChI=1S/C27H39N3O3/c1-8-27(6,12-11-22(32)16(2)3)20-9-10-21-23-18(14-28-24(20)23)13-19(15-31)29-26(33)25(17(4)5)30(21)7/h8-10,14,17,19,22,25,28,31-32H,1-2,11-13,15H2,3-7H3,(H,29,33)/t19-,22?,25-,27-/m0/s1 |
| SMILES | C=C[C@@](C)(CCC(O)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/C27H39N3O3/c1-8-27(6,12-11-22(32)16(2)3)20-9-10-21-23-18(14-28-24(20)23)13-19(15-31)29-26(33)25(17(4)5)30(21)7/h8-10,14,17,19,22,25,28,31-32H,1-2,11-13,15H2,3-7H3,(H,29,33)/t19-,22?,25-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:8][C@@:27]([CH3:6])([CH2:12][CH2:11][CH:22]([C:16](=[CH2:2])[CH3:3])[OH:32])[C:20]1=[C:24]2[C:23]3=[C:21]([CH:10]=[CH:9]1)[N:30]([CH3:7])[C@@H:25]([CH:17]([CH3:4])[CH3:5])[C:26]([OH:33])=[N:29][C@H:19]([CH2:15][OH:31])[CH2:13][C:18]3=[CH:14][NH:28]2 |
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