| Properties | Image |
|---|
| MNX_ID | MNXM102773 |
 |
| reference | chebi:69162 |
| formula | C32H39N5O5 |
| global charge | 0 |
| mol weight | 573.694 |
| InChIKey | NHMXYUDLGWLVHY-DYLSSQNPSA-N |
| InChI | InChI=1S/C32H39N5O5/c1-20(2)27(37-19-35(4)21(3)31(37)40)32(41)36-17-15-26-28(36)30(39)34-25(18-23-8-6-5-7-9-23)29(38)33-16-14-22-10-12-24(42-26)13-11-22/h5-14,16,20-21,25-28H,15,17-19H2,1-4H3,(H,33,38)(H,34,39)/b16-14-/t21-,25-,26-,27-,28-/m0/s1 |
| SMILES | CC(C)[C@@H](C(=O)N1CC[C@@H]2OC3=CC=C(C=C3)/C=C\NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]21)N1CN(C)[C@@H](C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C32H39N5O5/c1-20(2)27(37-19-35(4)21(3)31(37)40)32(41)36-17-15-26-28(36)30(39)34-25(18-23-8-6-5-7-9-23)29(38)33-16-14-22-10-12-24(42-26)13-11-22/h5-14,16,20-21,25-28H,15,17-19H2,1-4H3,(H,33,38)(H,34,39)/b16-14-/t21-,25-,26-,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[C@@H:27]([C:32]([N:36]1[CH2:17][CH2:15][C@H:26]2[C@H:28]1[C:30]([OH:39])=[N:34][C@@H:25]([CH2:18][C:23]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)/[C:29]([OH:38])=[N:33]\[CH:16]=[CH:14]/[C:22]1=[CH:10][CH:12]=[C:24]([CH:13]=[CH:11]1)[O:42]2)=[O:41])[N:37]1[CH2:19][N:35]([CH3:4])[C@@H:21]([CH3:3])[C:31]1=[O:40] |
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