| Properties | Image |
|---|
| MNX_ID | MNXM1122177 |
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| reference | chebi:159567 |
| formula | C23H30N6O4 |
| global charge | 0 |
| mol weight | 454.531 |
| InChIKey | URJUVJDTPXCQFL-IHPCNDPISA-N |
| InChI | InChI=1S/C23H30N6O4/c1-13(2)7-17(24)21(30)28-19(8-14-10-26-18-6-4-3-5-16(14)18)22(31)29-20(23(32)33)9-15-11-25-12-27-15/h3-6,10-13,17,19-20,26H,7-9,24H2,1-2H3,(H,25,27)(H,28,30)(H,29,31)(H,32,33)/t17-,19-,20-/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=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H30N6O4/c1-13(2)7-17(24)21(30)28-19(8-14-10-26-18-6-4-3-5-16(14)18)22(31)29-20(23(32)33)9-15-11-25-12-27-15/h3-6,10-13,17,19-20,26H,7-9,24H2,1-2H3,(H,25,27)(H,28,30)(H,29,31)(H,32,33)/t17-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:7][C@@H:17]([C:21](=[N:28][C@@H:19]([CH2:8][C:14]1=[CH:10][NH:26][C:18]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:16]12)[C:22](=[N:29][C@@H:20]([CH2:9][C:15]1=[CH:11][N:25]=[CH:12][NH:27]1)[C:23](=[O:32])[OH:33])[OH:31])[OH:30])[NH2:24] |
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