| Properties | Image |
|---|
| MNX_ID | MNXM1122807 |
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| reference | chebi:160203 |
| formula | C24H32N4O4 |
| global charge | 0 |
| mol weight | 440.544 |
| InChIKey | IPTUBUUIFRZMJK-ACRUOGEOSA-N |
| InChI | InChI=1S/C24H32N4O4/c25-14-8-7-13-19(26)22(29)27-20(15-17-9-3-1-4-10-17)23(30)28-21(24(31)32)16-18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16,25-26H2,(H,27,29)(H,28,30)(H,31,32)/t19-,20-,21-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C24H32N4O4/c25-14-8-7-13-19(26)22(29)27-20(15-17-9-3-1-4-10-17)23(30)28-21(24(31)32)16-18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16,25-26H2,(H,27,29)(H,28,30)(H,31,32)/t19-,20-,21-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:9]=[C:17]([CH2:15][C@@H:20]([C:23](=[N:28][C@@H:21]([CH2:16][C:18]2=[CH:11][CH:5]=[CH:2][CH:6]=[CH:12]2)[C:24](=[O:31])[OH:32])[OH:30])[N:27]=[C:22]([C@H:19]([CH2:13][CH2:7][CH2:8][CH2:14][NH2:25])[NH2:26])[OH:29])[CH:10]=[CH:4]1 |
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