| Properties | Image |
|---|
| MNX_ID | MNXM1124962 |
 |
| reference | chebi:162371 |
| formula | C22H26N6O4 |
| global charge | 0 |
| mol weight | 438.488 |
| InChIKey | GSPPWVHVBBSPSY-FHWLQOOXSA-N |
| InChI | InChI=1S/C22H26N6O4/c29-20(17-6-3-7-24-17)27-18(9-14-11-23-12-26-14)21(30)28-19(22(31)32)8-13-10-25-16-5-2-1-4-15(13)16/h1-2,4-5,10-12,17-19,24-25H,3,6-9H2,(H,23,26)(H,27,29)(H,28,30)(H,31,32)/t17-,18-,19-/m0/s1 |
| SMILES | O=C(O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C22H26N6O4/c29-20(17-6-3-7-24-17)27-18(9-14-11-23-12-26-14)21(30)28-19(22(31)32)8-13-10-25-16-5-2-1-4-15(13)16/h1-2,4-5,10-12,17-19,24-25H,3,6-9H2,(H,23,26)(H,27,29)(H,28,30)(H,31,32)/t17-,18-,19-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:16]2[C:15](=[CH:4]1)[C:13]([CH2:8][C@@H:19]([C:22](=[O:31])[OH:32])[N:28]=[C:21]([C@H:18]([CH2:9][C:14]1=[CH:11][N:23]=[CH:12][NH:26]1)[N:27]=[C:20]([C@@H:17]1[CH2:6][CH2:3][CH2:7][NH:24]1)[OH:29])[OH:30])=[CH:10][NH:25]2 |
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