| Properties | Image |
|---|
| MNX_ID | MNXM1125162 |
 |
| reference | chebi:162572 |
| formula | C25H28N4O4 |
| global charge | 0 |
| mol weight | 448.523 |
| InChIKey | YYARMJSFDLIDFS-FKBYEOEOSA-N |
| InChI | InChI=1S/C25H28N4O4/c30-23(20-11-6-12-26-20)28-21(13-16-7-2-1-3-8-16)24(31)29-22(25(32)33)14-17-15-27-19-10-5-4-9-18(17)19/h1-5,7-10,15,20-22,26-27H,6,11-14H2,(H,28,30)(H,29,31)(H,32,33)/t20-,21-,22-/m0/s1 |
| SMILES | O=C(O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C25H28N4O4/c30-23(20-11-6-12-26-20)28-21(13-16-7-2-1-3-8-16)24(31)29-22(25(32)33)14-17-15-27-19-10-5-4-9-18(17)19/h1-5,7-10,15,20-22,26-27H,6,11-14H2,(H,28,30)(H,29,31)(H,32,33)/t20-,21-,22-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:16]([CH2:13][C@@H:21]([C:24](=[N:29][C@@H:22]([CH2:14][C:17]2=[CH:15][NH:27][C:19]3=[CH:10][CH:5]=[CH:4][CH:9]=[C:18]23)[C:25](=[O:32])[OH:33])[OH:31])[N:28]=[C:23]([C@@H:20]2[CH2:11][CH2:6][CH2:12][NH:26]2)[OH:30])[CH:8]=[CH:3]1 |
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