| Properties | Image |
|---|
| MNX_ID | MNXM1124993 |
 |
| reference | chebi:162403 |
| formula | C20H29N3O4 |
| global charge | 0 |
| mol weight | 375.469 |
| InChIKey | BCNRNJWSRFDPTQ-HJWJTTGWSA-N |
| InChI | InChI=1S/C20H29N3O4/c1-3-13(2)17(23-18(24)15-10-7-11-21-15)19(25)22-16(20(26)27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,21H,3,7,10-12H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-,17-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H29N3O4/c1-3-13(2)17(23-18(24)15-10-7-11-21-15)19(25)22-16(20(26)27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,21H,3,7,10-12H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:13]([CH3:2])[C@@H:17]([C:19](=[N:22][C@@H:16]([CH2:12][C:14]1=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]1)[C:20](=[O:26])[OH:27])[OH:25])[N:23]=[C:18]([C@@H:15]1[CH2:10][CH2:7][CH2:11][NH:21]1)[OH:24] |
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