| Properties | Image |
|---|
| MNX_ID | MNXM1124552 |
 |
| reference | chebi:161957 |
| formula | C24H27N5O5 |
| global charge | 0 |
| mol weight | 465.51 |
| InChIKey | NHHZWPNMYQUNEH-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H27N5O5/c25-19(10-15-4-2-1-3-5-15)22(31)28-20(11-16-6-8-18(30)9-7-16)23(32)29-21(24(33)34)12-17-13-26-14-27-17/h1-9,13-14,19-21,30H,10-12,25H2,(H,26,27)(H,28,31)(H,29,32)(H,33,34)/t19-,20-,21-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H27N5O5/c25-19(10-15-4-2-1-3-5-15)22(31)28-20(11-16-6-8-18(30)9-7-16)23(32)29-21(24(33)34)12-17-13-26-14-27-17/h1-9,13-14,19-21,30H,10-12,25H2,(H,26,27)(H,28,31)(H,29,32)(H,33,34)/t19-,20-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:15]([CH2:10][C@@H:19]([C:22](=[N:28][C@@H:20]([CH2:11][C:16]2=[CH:7][CH:9]=[C:18]([OH:30])[CH:8]=[CH:6]2)[C:23](=[N:29][C@@H:21]([CH2:12][C:17]2=[CH:13][N:26]=[CH:14][NH:27]2)[C:24](=[O:33])[OH:34])[OH:32])[OH:31])[NH2:25])[CH:5]=[CH:3]1 |
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