| Properties | Image |
|---|
| MNX_ID | MNXM1127471 |
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| reference | chebi:164898 |
| formula | C25H28N4O7 |
| global charge | 0 |
| mol weight | 496.52 |
| InChIKey | CRCHQCUINSOGFD-JBACZVJFSA-N |
| InChI | InChI=1S/C25H28N4O7/c26-18(12-15-13-27-19-4-2-1-3-17(15)19)23(33)29-21(11-14-5-7-16(30)8-6-14)24(34)28-20(25(35)36)9-10-22(31)32/h1-8,13,18,20-21,27,30H,9-12,26H2,(H,28,34)(H,29,33)(H,31,32)(H,35,36)/t18-,20-,21-/m0/s1 |
| SMILES | N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H28N4O7/c26-18(12-15-13-27-19-4-2-1-3-17(15)19)23(33)29-21(11-14-5-7-16(30)8-6-14)24(34)28-20(25(35)36)9-10-22(31)32/h1-8,13,18,20-21,27,30H,9-12,26H2,(H,28,34)(H,29,33)(H,31,32)(H,35,36)/t18-,20-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:19]2[C:17](=[CH:3]1)[C:15]([CH2:12][C@@H:18]([C:23](=[N:29][C@@H:21]([CH2:11][C:14]1=[CH:6][CH:8]=[C:16]([OH:30])[CH:7]=[CH:5]1)[C:24](=[N:28][C@@H:20]([CH2:9][CH2:10][C:22](=[O:31])[OH:32])[C:25](=[O:35])[OH:36])[OH:34])[OH:33])[NH2:26])=[CH:13][NH:27]2 |
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