| Properties | Image |
| MNX_ID | MNXM1124384 |
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| reference | chebi:161788 |
| formula | C23H29N3O4 |
| global charge | 0 |
| mol weight | 411.502 |
| InChIKey | GRVMHFCZUIYNKQ-UFYCRDLUSA-N |
| InChI | InChI=1S/C23H29N3O4/c1-15(2)20(23(29)30)26-22(28)19(14-17-11-7-4-8-12-17)25-21(27)18(24)13-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14,24H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/t18-,19-,20-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C23H29N3O4/c1-15(2)20(23(29)30)26-22(28)19(14-17-11-7-4-8-12-17)25-21(27)18(24)13-16-9-5-3-6-10-16/h3-12,15,18-20H,13-14,24H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/t18-,19-,20-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C@@H:20]([C:23](=[O:29])[OH:30])[N:26]=[C:22]([C@H:19]([CH2:14][C:17]1=[CH:11][CH:7]=[CH:4][CH:8]=[CH:12]1)[N:25]=[C:21]([C@H:18]([CH2:13][C:16]1=[CH:9][CH:5]=[CH:3][CH:6]=[CH:10]1)[NH2:24])[OH:27])[OH:28] |
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