| Properties | Image |
|---|
| MNX_ID | MNXM744953 |
 |
| reference | biggM:trptyrtyr |
| formula | C29H30N4O6 |
| global charge | 0 |
| mol weight | 530.581 |
| InChIKey | GDPDVIBHJDFRFD-DMTNHVFBSA-N |
| InChI | InChI=1S/C29H30N4O6/c30-23(15-19-16-31-24-4-2-1-3-22(19)24)27(36)32-25(13-17-5-9-20(34)10-6-17)28(37)33-26(29(38)39)14-18-7-11-21(35)12-8-18/h1-12,16,23,25-26,31,34-35H,13-15,30H2,(H,32,36)(H,33,37)(H,38,39)/t23-,25+,26-/m1/s1 |
| SMILES | N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H30N4O6/c30-23(15-19-16-31-24-4-2-1-3-22(19)24)27(36)32-25(13-17-5-9-20(34)10-6-17)28(37)33-26(29(38)39)14-18-7-11-21(35)12-8-18/h1-12,16,23,25-26,31,34-35H,13-15,30H2,(H,32,36)(H,33,37)(H,38,39)/t23-,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:24]2[C:22](=[CH:3]1)[C:19]([CH2:15][C@H:23]([C:27](=[N:32][C@@H:25]([CH2:13][C:17]1=[CH:6][CH:10]=[C:20]([OH:34])[CH:9]=[CH:5]1)[C:28](=[N:33][C@H:26]([CH2:14][C:18]1=[CH:8][CH:12]=[C:21]([OH:35])[CH:11]=[CH:7]1)[C:29](=[O:38])[OH:39])[OH:37])[OH:36])[NH2:30])=[CH:16][NH:31]2 |
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