| Properties | Image |
|---|
| MNX_ID | MNXM1121296 |
 |
| reference | chebi:158684 |
| formula | C26H32N4O4 |
| global charge | 0 |
| mol weight | 464.566 |
| InChIKey | KLJKJVXDHVUMMZ-KKPKCPPISA-N |
| InChI | InChI=1S/C26H32N4O4/c1-3-16(2)23(27)25(32)29-21(13-17-9-5-4-6-10-17)24(31)30-22(26(33)34)14-18-15-28-20-12-8-7-11-19(18)20/h4-12,15-16,21-23,28H,3,13-14,27H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)/t16-,21-,22-,23-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H32N4O4/c1-3-16(2)23(27)25(32)29-21(13-17-9-5-4-6-10-17)24(31)30-22(26(33)34)14-18-15-28-20-12-8-7-11-19(18)20/h4-12,15-16,21-23,28H,3,13-14,27H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)/t16-,21-,22-,23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:16]([CH3:2])[C@@H:23]([C:25](=[N:29][C@@H:21]([CH2:13][C:17]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1)[C:24](=[N:30][C@@H:22]([CH2:14][C:18]1=[CH:15][NH:28][C:20]2=[CH:12][CH:8]=[CH:7][CH:11]=[C:19]12)[C:26](=[O:33])[OH:34])[OH:31])[OH:32])[NH2:27] |
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