| Properties | Image |
|---|
| MNX_ID | MNXM1127448 |
 |
| reference | chebi:164874 |
| formula | C28H34N8O4 |
| global charge | 0 |
| mol weight | 546.632 |
| InChIKey | QJIOKZXDGFZQJP-OYDLWJJNSA-N |
| InChI | InChI=1S/C28H34N8O4/c29-20(12-16-14-33-21-8-3-1-6-18(16)21)25(37)36-24(13-17-15-34-22-9-4-2-7-19(17)22)26(38)35-23(27(39)40)10-5-11-32-28(30)31/h1-4,6-9,14-15,20,23-24,33-34H,5,10-13,29H2,(H,35,38)(H,36,37)(H,39,40)(H4,30,31,32)/t20-,23-,24-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H34N8O4/c29-20(12-16-14-33-21-8-3-1-6-18(16)21)25(37)36-24(13-17-15-34-22-9-4-2-7-19(17)22)26(38)35-23(27(39)40)10-5-11-32-28(30)31/h1-4,6-9,14-15,20,23-24,33-34H,5,10-13,29H2,(H,35,38)(H,36,37)(H,39,40)(H4,30,31,32)/t20-,23-,24-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:8]=[C:21]2[C:18](=[CH:6]1)[C:16]([CH2:12][C@@H:20]([C:25](=[N:36][C@@H:24]([CH2:13][C:17]1=[CH:15][NH:34][C:22]3=[CH:9][CH:4]=[CH:2][CH:7]=[C:19]13)[C:26](=[N:35][C@@H:23]([CH2:10][CH2:5][CH2:11][NH:32][C:28](=[NH:30])[NH2:31])[C:27](=[O:39])[OH:40])[OH:38])[OH:37])[NH2:29])=[CH:14][NH:33]2 |
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