| Properties | Image |
|---|
| MNX_ID | MNXM1128014 |
 |
| reference | chebi:166052 |
| formula | C25H30N4O5 |
| global charge | 0 |
| mol weight | 466.538 |
| InChIKey | CCEVJBJLPRNAFH-BVSLBCMMSA-N |
| InChI | InChI=1S/C25H30N4O5/c1-14(2)22(29-23(31)19(26)11-15-7-9-17(30)10-8-15)24(32)28-21(25(33)34)12-16-13-27-20-6-4-3-5-18(16)20/h3-10,13-14,19,21-22,27,30H,11-12,26H2,1-2H3,(H,28,32)(H,29,31)(H,33,34)/t19-,21-,22-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H30N4O5/c1-14(2)22(29-23(31)19(26)11-15-7-9-17(30)10-8-15)24(32)28-21(25(33)34)12-16-13-27-20-6-4-3-5-18(16)20/h3-10,13-14,19,21-22,27,30H,11-12,26H2,1-2H3,(H,28,32)(H,29,31)(H,33,34)/t19-,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[C@@H:22]([C:24](=[N:28][C@@H:21]([CH2:12][C:16]1=[CH:13][NH:27][C:20]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:18]12)[C:25](=[O:33])[OH:34])[OH:32])[N:29]=[C:23]([C@H:19]([CH2:11][C:15]1=[CH:8][CH:10]=[C:17]([OH:30])[CH:9]=[CH:7]1)[NH2:26])[OH:31] |
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