| Properties | Image |
|---|
| MNX_ID | MNXM1122001 |
 |
| reference | chebi:159390 |
| formula | C28H34N8O4 |
| global charge | 0 |
| mol weight | 546.632 |
| InChIKey | WAEWODAAWLGLMK-OYDLWJJNSA-N |
| InChI | InChI=1S/C28H34N8O4/c29-20(8-5-11-32-28(30)31)25(37)35-23(12-16-14-33-21-9-3-1-6-18(16)21)26(38)36-24(27(39)40)13-17-15-34-22-10-4-2-7-19(17)22/h1-4,6-7,9-10,14-15,20,23-24,33-34H,5,8,11-13,29H2,(H,35,37)(H,36,38)(H,39,40)(H4,30,31,32)/t20-,23-,24-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H34N8O4/c29-20(8-5-11-32-28(30)31)25(37)35-23(12-16-14-33-21-9-3-1-6-18(16)21)26(38)36-24(27(39)40)13-17-15-34-22-10-4-2-7-19(17)22/h1-4,6-7,9-10,14-15,20,23-24,33-34H,5,8,11-13,29H2,(H,35,37)(H,36,38)(H,39,40)(H4,30,31,32)/t20-,23-,24-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:9]=[C:21]2[C:18](=[CH:6]1)[C:16]([CH2:12][C@@H:23]([C:26](=[N:36][C@@H:24]([CH2:13][C:17]1=[CH:15][NH:34][C:22]3=[CH:10][CH:4]=[CH:2][CH:7]=[C:19]13)[C:27](=[O:39])[OH:40])[OH:38])[N:35]=[C:25]([C@H:20]([CH2:8][CH2:5][CH2:11][NH:32][C:28](=[NH:30])[NH2:31])[NH2:29])[OH:37])=[CH:14][NH:33]2 |
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