| Properties | Image |
|---|
| MNX_ID | MNXM1122163 |
 |
| reference | chebi:159553 |
| formula | C23H35N7O4 |
| global charge | 0 |
| mol weight | 473.578 |
| InChIKey | IDGRADDMTTWOQC-WDSOQIARSA-N |
| InChI | InChI=1S/C23H35N7O4/c1-13(2)10-16(24)20(31)30-19(11-14-12-28-17-7-4-3-6-15(14)17)21(32)29-18(22(33)34)8-5-9-27-23(25)26/h3-4,6-7,12-13,16,18-19,28H,5,8-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/t16-,18-,19-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H35N7O4/c1-13(2)10-16(24)20(31)30-19(11-14-12-28-17-7-4-3-6-15(14)17)21(32)29-18(22(33)34)8-5-9-27-23(25)26/h3-4,6-7,12-13,16,18-19,28H,5,8-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/t16-,18-,19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:10][C@@H:16]([C:20](=[N:30][C@@H:19]([CH2:11][C:14]1=[CH:12][NH:28][C:17]2=[CH:7][CH:4]=[CH:3][CH:6]=[C:15]12)[C:21](=[N:29][C@@H:18]([CH2:8][CH2:5][CH2:9][NH:27][C:23](=[NH:25])[NH2:26])[C:22](=[O:33])[OH:34])[OH:32])[OH:31])[NH2:24] |
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