| Properties | Image |
|---|
| MNX_ID | MNXM1124597 |
 |
| reference | chebi:162002 |
| formula | C20H32N4O4 |
| global charge | 0 |
| mol weight | 392.5 |
| InChIKey | RGMLUHANLDVMPB-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H32N4O4/c1-13(2)17(19(26)23-16(20(27)28)10-6-7-11-21)24-18(25)15(22)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12,21-22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t15-,16-,17-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32N4O4/c1-13(2)17(19(26)23-16(20(27)28)10-6-7-11-21)24-18(25)15(22)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12,21-22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[C@@H:17]([C:19](=[N:23][C@@H:16]([CH2:10][CH2:6][CH2:7][CH2:11][NH2:21])[C:20](=[O:27])[OH:28])[OH:26])[N:24]=[C:18]([C@H:15]([CH2:12][C:14]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)[NH2:22])[OH:25] |
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