| Properties | Image |
|---|
| MNX_ID | MNXM1127737 |
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| reference | chebi:165164 |
| formula | C24H32N4O5 |
| global charge | 0 |
| mol weight | 456.543 |
| InChIKey | CWVHKVVKAQIJKY-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H32N4O5/c25-13-5-4-8-20(27-22(30)19(26)14-17-9-11-18(29)12-10-17)23(31)28-21(24(32)33)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-21,29H,4-5,8,13-15,25-26H2,(H,27,30)(H,28,31)(H,32,33)/t19-,20-,21-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H32N4O5/c25-13-5-4-8-20(27-22(30)19(26)14-17-9-11-18(29)12-10-17)23(31)28-21(24(32)33)15-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-21,29H,4-5,8,13-15,25-26H2,(H,27,30)(H,28,31)(H,32,33)/t19-,20-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:16]([CH2:15][C@@H:21]([C:24](=[O:32])[OH:33])[N:28]=[C:23]([C@H:20]([CH2:8][CH2:4][CH2:5][CH2:13][NH2:25])[N:27]=[C:22]([C@H:19]([CH2:14][C:17]2=[CH:10][CH:12]=[C:18]([OH:29])[CH:11]=[CH:9]2)[NH2:26])[OH:30])[OH:31])[CH:7]=[CH:3]1 |
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