| Properties | Image |
|---|
| MNX_ID | MNXM1122796 |
 |
| reference | chebi:160191 |
| formula | C26H28N6O5 |
| global charge | 0 |
| mol weight | 504.547 |
| InChIKey | IPAQILGYEQFCFO-NYVOZVTQSA-N |
| InChI | InChI=1S/C26H28N6O5/c27-18(11-23(28)33)24(34)31-21(9-14-12-29-19-7-3-1-5-16(14)19)25(35)32-22(26(36)37)10-15-13-30-20-8-4-2-6-17(15)20/h1-8,12-13,18,21-22,29-30H,9-11,27H2,(H2,28,33)(H,31,34)(H,32,35)(H,36,37)/t18-,21-,22-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C26H28N6O5/c27-18(11-23(28)33)24(34)31-21(9-14-12-29-19-7-3-1-5-16(14)19)25(35)32-22(26(36)37)10-15-13-30-20-8-4-2-6-17(15)20/h1-8,12-13,18,21-22,29-30H,9-11,27H2,(H2,28,33)(H,31,34)(H,32,35)(H,36,37)/t18-,21-,22-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:19]2[C:16](=[CH:5]1)[C:14]([CH2:9][C@@H:21]([C:25](=[N:32][C@@H:22]([CH2:10][C:15]1=[CH:13][NH:30][C:20]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:17]13)[C:26](=[O:36])[OH:37])[OH:35])[N:31]=[C:24]([C@H:18]([CH2:11][C:23](=[NH:28])[OH:33])[NH2:27])[OH:34])=[CH:12][NH:29]2 |
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