| Properties | Image |
|---|
| MNX_ID | MNXM744949 |
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| reference | biggM:trpthrglu |
| formula | C20H25N4O7 |
| global charge | -1 |
| mol weight | 433.441 |
| InChIKey | DTPWXZXGFAHEKL-ZQPYQELRSA-M |
| InChI | InChI=1S/C20H26N4O7/c1-10(25)17(19(29)23-15(20(30)31)6-7-16(26)27)24-18(28)13(21)8-11-9-22-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,17,22,25H,6-8,21H2,1H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)/p-1/t10-,13-,15-,17+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CCC(=O)[O-])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H26N4O7/c1-10(25)17(19(29)23-15(20(30)31)6-7-16(26)27)24-18(28)13(21)8-11-9-22-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,17,22,25H,6-8,21H2,1H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)/t10-,13-,15-,17+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:10]([C@@H:17]([C:19](=[N:23][C@H:15]([CH2:6][CH2:7][C:16](=[O:26])[OH:27])[C:20](=[O:30])[OH:31])[OH:29])[N:24]=[C:18]([C@@H:13]([CH2:8][C:11]1=[CH:9][NH:22][C:14]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]12)[NH2:21])[OH:28])[OH:25] |
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