| Properties | Image |
|---|
| MNX_ID | MNXM1122185 |
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| reference | chebi:159576 |
| formula | C26H32N4O4 |
| global charge | 0 |
| mol weight | 464.566 |
| InChIKey | LFXSPAIBSZSTEM-PMVMPFDFSA-N |
| InChI | InChI=1S/C26H32N4O4/c1-16(2)12-20(27)24(31)29-22(14-18-15-28-21-11-7-6-10-19(18)21)25(32)30-23(26(33)34)13-17-8-4-3-5-9-17/h3-11,15-16,20,22-23,28H,12-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)/t20-,22-,23-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H32N4O4/c1-16(2)12-20(27)24(31)29-22(14-18-15-28-21-11-7-6-10-19(18)21)25(32)30-23(26(33)34)13-17-8-4-3-5-9-17/h3-11,15-16,20,22-23,28H,12-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)/t20-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[CH2:12][C@@H:20]([C:24](=[N:29][C@@H:22]([CH2:14][C:18]1=[CH:15][NH:28][C:21]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:19]12)[C:25](=[N:30][C@@H:23]([CH2:13][C:17]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[C:26](=[O:33])[OH:34])[OH:32])[OH:31])[NH2:27] |
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