| Properties | Image |
|---|
| MNX_ID | MNXM1121756 |
 |
| reference | chebi:159145 |
| formula | C21H35N7O4 |
| global charge | 0 |
| mol weight | 449.556 |
| InChIKey | XUGATJVGQUGQKY-ULQDDVLXSA-N |
| InChI | InChI=1S/C21H35N7O4/c22-11-5-4-10-16(27-18(29)15(23)9-6-12-26-21(24)25)19(30)28-17(20(31)32)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,22-23H2,(H,27,29)(H,28,30)(H,31,32)(H4,24,25,26)/t15-,16-,17-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H35N7O4/c22-11-5-4-10-16(27-18(29)15(23)9-6-12-26-21(24)25)19(30)28-17(20(31)32)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,22-23H2,(H,27,29)(H,28,30)(H,31,32)(H4,24,25,26)/t15-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:7]=[C:14]([CH2:13][C@@H:17]([C:20](=[O:31])[OH:32])[N:28]=[C:19]([C@H:16]([CH2:10][CH2:4][CH2:5][CH2:11][NH2:22])[N:27]=[C:18]([C@H:15]([CH2:9][CH2:6][CH2:12][NH:26][C:21](=[NH:24])[NH2:25])[NH2:23])[OH:29])[OH:30])[CH:8]=[CH:3]1 |
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