| Properties | Image |
|---|
| MNX_ID | MNXM1122505 |
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| reference | chebi:159898 |
| formula | C20H31N5O6 |
| global charge | 0 |
| mol weight | 437.497 |
| InChIKey | IRRZDAIFYHNIIN-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H31N5O6/c21-10-2-1-3-14(22)18(28)24-15(8-9-17(23)27)19(29)25-16(20(30)31)11-12-4-6-13(26)7-5-12/h4-7,14-16,26H,1-3,8-11,21-22H2,(H2,23,27)(H,24,28)(H,25,29)(H,30,31)/t14-,15-,16-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H31N5O6/c21-10-2-1-3-14(22)18(28)24-15(8-9-17(23)27)19(29)25-16(20(30)31)11-12-4-6-13(26)7-5-12/h4-7,14-16,26H,1-3,8-11,21-22H2,(H2,23,27)(H,24,28)(H,25,29)(H,30,31)/t14-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:10][NH2:21])[CH2:3][C@@H:14]([C:18](=[N:24][C@@H:15]([CH2:8][CH2:9][C:17](=[NH:23])[OH:27])[C:19](=[N:25][C@@H:16]([CH2:11][C:12]1=[CH:5][CH:7]=[C:13]([OH:26])[CH:6]=[CH:4]1)[C:20](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:22] |
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