| Properties | Image |
|---|
| MNX_ID | MNXM1122042 |
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| reference | chebi:159431 |
| formula | C20H29N3O4 |
| global charge | 0 |
| mol weight | 375.469 |
| InChIKey | UHNQRAFSEBGZFZ-YESZJQIVSA-N |
| InChI | InChI=1S/C20H29N3O4/c1-13(2)11-15(21)18(24)22-16(12-14-7-4-3-5-8-14)19(25)23-10-6-9-17(23)20(26)27/h3-5,7-8,13,15-17H,6,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16-,17+/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H29N3O4/c1-13(2)11-15(21)18(24)22-16(12-14-7-4-3-5-8-14)19(25)23-10-6-9-17(23)20(26)27/h3-5,7-8,13,15-17H,6,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16-,17+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:11][C@@H:15]([C:18](=[N:22][C@@H:16]([CH2:12][C:14]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[C:19]([N:23]1[CH2:10][CH2:6][CH2:9][C@@H:17]1[C:20](=[O:26])[OH:27])=[O:25])[OH:24])[NH2:21] |
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