| Properties | Image |
|---|
| MNX_ID | MNXM1127721 |
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| reference | chebi:165148 |
| formula | C26H32N4O5 |
| global charge | 0 |
| mol weight | 480.565 |
| InChIKey | BJCILVZEZRDIDR-PMVMPFDFSA-N |
| InChI | InChI=1S/C26H32N4O5/c1-15(2)11-22(29-24(32)20(27)12-16-7-9-18(31)10-8-16)25(33)30-23(26(34)35)13-17-14-28-21-6-4-3-5-19(17)21/h3-10,14-15,20,22-23,28,31H,11-13,27H2,1-2H3,(H,29,32)(H,30,33)(H,34,35)/t20-,22-,23-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H32N4O5/c1-15(2)11-22(29-24(32)20(27)12-16-7-9-18(31)10-8-16)25(33)30-23(26(34)35)13-17-14-28-21-6-4-3-5-19(17)21/h3-10,14-15,20,22-23,28,31H,11-13,27H2,1-2H3,(H,29,32)(H,30,33)(H,34,35)/t20-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[CH2:11][C@@H:22]([C:25](=[N:30][C@@H:23]([CH2:13][C:17]1=[CH:14][NH:28][C:21]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:19]12)[C:26](=[O:34])[OH:35])[OH:33])[N:29]=[C:24]([C@H:20]([CH2:12][C:16]1=[CH:8][CH:10]=[C:18]([OH:31])[CH:9]=[CH:7]1)[NH2:27])[OH:32] |
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