| Properties | Image |
|---|
| MNX_ID | MNXM157651 |
 |
| reference | keggD:D10562 |
| formula | C28H34N6O5 |
| global charge | 0 |
| mol weight | 534.617 |
| InChIKey | WVDSKQXKCDZXLH-OHIDFYLOSA-N |
| InChI | InChI=1S/C26H30N6O3.C2H4O2/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21;1-2(3)4/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34);1H3,(H,3,4)/t22-,23-;/m1./s1 |
| SMILES | CC(=O)O.CC(C)(N)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CC1=CNC2=C1C=CC=C2)NC=O |
MNX internals
| InChI (mnx) | InChI=1/C26H30N6O3.C2H4O2/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21;1-2(3)4/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34);1H3,(H,3,4)/t22-,23-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][C:26]([CH3:2])([C:25](=[N:31][C@H:22]([CH2:11][C:16]1=[CH:13][NH:28][C:20]2=[CH:9][CH:5]=[CH:3][CH:7]=[C:18]12)[C:24](=[N:32][C@H:23]([CH2:12][C:17]1=[CH:14][NH:29][C:21]2=[CH:10][CH:6]=[CH:4][CH:8]=[C:19]12)[N:30]=[CH:15][OH:33])[OH:34])[OH:35])[NH2:27].[CH3:36][C:37](=[O:38])[OH:39] |
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