| Properties | Image |
|---|
| MNX_ID | MNXM1100500 |
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| reference | metacycM:CPD-17358 |
| formula | C26H31N3O3 |
| global charge | 0 |
| mol weight | 433.552 |
| InChIKey | RWBYEKCUNMXINJ-RAYWSRASSA-N |
| InChI | InChI=1S/C26H31N3O3/c1-14(2)6-7-16-18(30)9-8-15-17-12-26-19(24(3,4)21(17)27-20(15)16)13-25(22(31)28-26)10-5-11-29(25)23(26)32/h6,8-9,19,27,30H,5,7,10-13H2,1-4H3,(H,28,31)/t19-,25?,26?/m0/s1 |
| SMILES | CC(C)=CCC1=C(O)C=CC2=C1NC1=C2CC23NC(=O)C4(CCCN4C2=O)C[C@H]3C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C26H31N3O3/c1-14(2)6-7-16-18(30)9-8-15-17-12-26-19(24(3,4)21(17)27-20(15)16)13-25(22(31)28-26)10-5-11-29(25)23(26)32/h6,8-9,19,27,30H,5,7,10-13H2,1-4H3,(H,28,31)/t19-,25?,26?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([CH3:2])=[CH:6][CH2:7][C:16]1=[C:18]([OH:30])[CH:9]=[CH:8][C:15]2=[C:20]1[NH:27][C:21]1=[C:17]2[CH2:12][C:26]23[C@@H:19]([CH2:13][C:25]4([CH2:10][CH2:5][CH2:11][N:29]4[C:23]2=[O:32])[C:22]([OH:31])=[N:28]3)[C:24]1([CH3:3])[CH3:4] |
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