| Properties | Image |
|---|
| MNX_ID | MNXM1127562 |
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| reference | chebi:164989 |
| formula | C24H27N5O6 |
| global charge | 0 |
| mol weight | 481.509 |
| InChIKey | IUQDEKCCHWRHRW-IHPCNDPISA-N |
| InChI | InChI=1S/C24H27N5O6/c25-17(9-13-5-7-15(30)8-6-13)22(32)28-19(11-21(26)31)23(33)29-20(24(34)35)10-14-12-27-18-4-2-1-3-16(14)18/h1-8,12,17,19-20,27,30H,9-11,25H2,(H2,26,31)(H,28,32)(H,29,33)(H,34,35)/t17-,19-,20-/m0/s1 |
| SMILES | NC(=O)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/C24H27N5O6/c25-17(9-13-5-7-15(30)8-6-13)22(32)28-19(11-21(26)31)23(33)29-20(24(34)35)10-14-12-27-18-4-2-1-3-16(14)18/h1-8,12,17,19-20,27,30H,9-11,25H2,(H2,26,31)(H,28,32)(H,29,33)(H,34,35)/t17-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:18]2[C:16](=[CH:3]1)[C:14]([CH2:10][C@@H:20]([C:24](=[O:34])[OH:35])[N:29]=[C:23]([C@H:19]([CH2:11][C:21](=[NH:26])[OH:31])[N:28]=[C:22]([C@H:17]([CH2:9][C:13]1=[CH:6][CH:8]=[C:15]([OH:30])[CH:7]=[CH:5]1)[NH2:25])[OH:32])[OH:33])=[CH:12][NH:27]2 |
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