| Properties | Image |
|---|
| MNX_ID | MNXM1127682 |
 |
| reference | chebi:165109 |
| formula | C24H27N5O6 |
| global charge | 0 |
| mol weight | 481.509 |
| InChIKey | OSXNCKRGMSHWSQ-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H27N5O6/c25-19(9-14-1-5-17(30)6-2-14)22(32)28-20(11-16-12-26-13-27-16)23(33)29-21(24(34)35)10-15-3-7-18(31)8-4-15/h1-8,12-13,19-21,30-31H,9-11,25H2,(H,26,27)(H,28,32)(H,29,33)(H,34,35)/t19-,20-,21-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H27N5O6/c25-19(9-14-1-5-17(30)6-2-14)22(32)28-20(11-16-12-26-13-27-16)23(33)29-21(24(34)35)10-15-3-7-18(31)8-4-15/h1-8,12-13,19-21,30-31H,9-11,25H2,(H,26,27)(H,28,32)(H,29,33)(H,34,35)/t19-,20-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:5][C:17]([OH:30])=[CH:6][CH:2]=[C:14]1[CH2:9][C@@H:19]([C:22](=[N:28][C@@H:20]([CH2:11][C:16]1=[CH:12][N:26]=[CH:13][NH:27]1)[C:23](=[N:29][C@@H:21]([CH2:10][C:15]1=[CH:4][CH:8]=[C:18]([OH:31])[CH:7]=[CH:3]1)[C:24](=[O:34])[OH:35])[OH:33])[OH:32])[NH2:25] |
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