| Properties | Image |
|---|
| MNX_ID | MNXM1124536 |
 |
| reference | chebi:161941 |
| formula | C25H30N4O4 |
| global charge | 0 |
| mol weight | 450.539 |
| InChIKey | BTAIJUBAGLVFKQ-BVSLBCMMSA-N |
| InChI | InChI=1S/C25H30N4O4/c1-15(2)22(25(32)33)29-24(31)21(13-17-14-27-20-11-7-6-10-18(17)20)28-23(30)19(26)12-16-8-4-3-5-9-16/h3-11,14-15,19,21-22,27H,12-13,26H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)/t19-,21-,22-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H30N4O4/c1-15(2)22(25(32)33)29-24(31)21(13-17-14-27-20-11-7-6-10-18(17)20)28-23(30)19(26)12-16-8-4-3-5-9-16/h3-11,14-15,19,21-22,27H,12-13,26H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)/t19-,21-,22-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C@@H:22]([C:25](=[O:32])[OH:33])[N:29]=[C:24]([C@H:21]([CH2:13][C:17]1=[CH:14][NH:27][C:20]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:18]12)[N:28]=[C:23]([C@H:19]([CH2:12][C:16]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[NH2:26])[OH:30])[OH:31] |
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