| Properties | Image |
|---|
| MNX_ID | MNXM1127502 |
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| reference | chebi:164929 |
| formula | C27H31N5O4 |
| global charge | 0 |
| mol weight | 489.576 |
| InChIKey | FFWCYWZIVFIUDM-OYDLWJJNSA-N |
| InChI | InChI=1S/C27H31N5O4/c1-15(2)24(32-25(33)20(28)11-16-13-29-21-9-5-3-7-18(16)21)26(34)31-23(27(35)36)12-17-14-30-22-10-6-4-8-19(17)22/h3-10,13-15,20,23-24,29-30H,11-12,28H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)/t20-,23-,24-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C27H31N5O4/c1-15(2)24(32-25(33)20(28)11-16-13-29-21-9-5-3-7-18(16)21)26(34)31-23(27(35)36)12-17-14-30-22-10-6-4-8-19(17)22/h3-10,13-15,20,23-24,29-30H,11-12,28H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)/t20-,23-,24-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C@@H:24]([C:26](=[N:31][C@@H:23]([CH2:12][C:17]1=[CH:14][NH:30][C:22]2=[CH:10][CH:6]=[CH:4][CH:8]=[C:19]12)[C:27](=[O:35])[OH:36])[OH:34])[N:32]=[C:25]([C@H:20]([CH2:11][C:16]1=[CH:13][NH:29][C:21]2=[CH:9][CH:5]=[CH:3][CH:7]=[C:18]12)[NH2:28])[OH:33] |
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