| Properties | Image |
|---|
| MNX_ID | MNXM1124054 |
 |
| reference | chebi:161456 |
| formula | C20H31N5O5 |
| global charge | 0 |
| mol weight | 421.498 |
| InChIKey | WYPVCIACUMJRIB-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H31N5O5/c21-11-5-4-8-16(20(29)30)25-19(28)15(9-10-17(23)26)24-18(27)14(22)12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H2,23,26)(H,24,27)(H,25,28)(H,29,30)/t14-,15-,16-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H31N5O5/c21-11-5-4-8-16(20(29)30)25-19(28)15(9-10-17(23)26)24-18(27)14(22)12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H2,23,26)(H,24,27)(H,25,28)(H,29,30)/t14-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:13]([CH2:12][C@@H:14]([C:18](=[N:24][C@@H:15]([CH2:9][CH2:10][C:17](=[NH:23])[OH:26])[C:19](=[N:25][C@@H:16]([CH2:8][CH2:4][CH2:5][CH2:11][NH2:21])[C:20](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:22])[CH:7]=[CH:3]1 |
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