| Properties | Image |
|---|
| MNX_ID | MNXM1128362 |
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| reference | chebi:166404 |
| formula | C22H33N5O4 |
| global charge | 0 |
| mol weight | 431.537 |
| InChIKey | QTXGUIMEHKCPBH-FHWLQOOXSA-N |
| InChI | InChI=1S/C22H33N5O4/c1-13(2)19(24)21(29)27-18(11-14-12-25-16-8-4-3-7-15(14)16)20(28)26-17(22(30)31)9-5-6-10-23/h3-4,7-8,12-13,17-19,25H,5-6,9-11,23-24H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t17-,18-,19-/m0/s1 |
| SMILES | CC(C)[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C22H33N5O4/c1-13(2)19(24)21(29)27-18(11-14-12-25-16-8-4-3-7-15(14)16)20(28)26-17(22(30)31)9-5-6-10-23/h3-4,7-8,12-13,17-19,25H,5-6,9-11,23-24H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t17-,18-,19-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[C@@H:19]([C:21](=[N:27][C@@H:18]([CH2:11][C:14]1=[CH:12][NH:25][C:16]2=[CH:8][CH:4]=[CH:3][CH:7]=[C:15]12)[C:20](=[N:26][C@@H:17]([CH2:9][CH2:5][CH2:6][CH2:10][NH2:23])[C:22](=[O:30])[OH:31])[OH:28])[OH:29])[NH2:24] |
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