| Properties | Image |
|---|
| MNX_ID | MNXM744933 |
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| reference | biggM:trpglyasp |
| formula | C17H19N4O6 |
| global charge | -1 |
| mol weight | 375.361 |
| InChIKey | BEWOXKJJMBKRQL-DGCLKSJQSA-M |
| InChI | InChI=1S/C17H20N4O6/c18-11(5-9-7-19-12-4-2-1-3-10(9)12)16(25)20-8-14(22)21-13(17(26)27)6-15(23)24/h1-4,7,11,13,19H,5-6,8,18H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/p-1/t11-,13-/m1/s1 |
| SMILES | N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H20N4O6/c18-11(5-9-7-19-12-4-2-1-3-10(9)12)16(25)20-8-14(22)21-13(17(26)27)6-15(23)24/h1-4,7,11,13,19H,5-6,8,18H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t11-,13-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]2[C:10](=[CH:3]1)[C:9]([CH2:5][C@H:11]([C:16](=[N:20][CH2:8][C:14](=[N:21][C@H:13]([CH2:6][C:15](=[O:23])[OH:24])[C:17](=[O:26])[OH:27])[OH:22])[OH:25])[NH2:18])=[CH:7][NH:19]2 |
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