| Properties | Image |
|---|
| MNX_ID | MNXM1122788 |
 |
| reference | chebi:160183 |
| formula | C24H27N5O5 |
| global charge | 0 |
| mol weight | 465.51 |
| InChIKey | CPYHLXSGDBDULY-IHPCNDPISA-N |
| InChI | InChI=1S/C24H27N5O5/c25-17(12-21(26)30)22(31)28-19(11-15-13-27-18-9-5-4-8-16(15)18)23(32)29-20(24(33)34)10-14-6-2-1-3-7-14/h1-9,13,17,19-20,27H,10-12,25H2,(H2,26,30)(H,28,31)(H,29,32)(H,33,34)/t17-,19-,20-/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H27N5O5/c25-17(12-21(26)30)22(31)28-19(11-15-13-27-18-9-5-4-8-16(15)18)23(32)29-20(24(33)34)10-14-6-2-1-3-7-14/h1-9,13,17,19-20,27H,10-12,25H2,(H2,26,30)(H,28,31)(H,29,32)(H,33,34)/t17-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:14]([CH2:10][C@@H:20]([C:24](=[O:33])[OH:34])[N:29]=[C:23]([C@H:19]([CH2:11][C:15]2=[CH:13][NH:27][C:18]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:16]23)[N:28]=[C:22]([C@H:17]([CH2:12][C:21](=[NH:26])[OH:30])[NH2:25])[OH:31])[OH:32])[CH:7]=[CH:3]1 |
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