| Properties | Image |
| MNX_ID | MNXM1125943 |
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| reference | chebi:163357 |
| formula | C18H27N3O5 |
| global charge | 0 |
| mol weight | 365.43 |
| InChIKey | UPLYXVPQLJVWMM-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H27N3O5/c1-11(2)8-15(18(25)26)21-17(24)14(20-16(23)13(19)10-22)9-12-6-4-3-5-7-12/h3-7,11,13-15,22H,8-10,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t13-,14-,15-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H27N3O5/c1-11(2)8-15(18(25)26)21-17(24)14(20-16(23)13(19)10-22)9-12-6-4-3-5-7-12/h3-7,11,13-15,22H,8-10,19H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]([CH3:2])[CH2:8][C@@H:15]([C:18](=[O:25])[OH:26])[N:21]=[C:17]([C@H:14]([CH2:9][C:12]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[N:20]=[C:16]([C@H:13]([CH2:10][OH:22])[NH2:19])[OH:23])[OH:24] |
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