| Properties | Image |
|---|
| MNX_ID | MNXM1122028 |
 |
| reference | chebi:159417 |
| formula | C21H35N7O5 |
| global charge | 0 |
| mol weight | 465.555 |
| InChIKey | NMTANZXPDAHUKU-ULQDDVLXSA-N |
| InChI | InChI=1S/C21H35N7O5/c22-10-2-1-5-16(20(32)33)27-19(31)17(12-13-6-8-14(29)9-7-13)28-18(30)15(23)4-3-11-26-21(24)25/h6-9,15-17,29H,1-5,10-12,22-23H2,(H,27,31)(H,28,30)(H,32,33)(H4,24,25,26)/t15-,16-,17-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H35N7O5/c22-10-2-1-5-16(20(32)33)27-19(31)17(12-13-6-8-14(29)9-7-13)28-18(30)15(23)4-3-11-26-21(24)25/h6-9,15-17,29H,1-5,10-12,22-23H2,(H,27,31)(H,28,30)(H,32,33)(H4,24,25,26)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:10][NH2:22])[CH2:5][C@@H:16]([C:20](=[O:32])[OH:33])[N:27]=[C:19]([C@H:17]([CH2:12][C:13]1=[CH:7][CH:9]=[C:14]([OH:29])[CH:8]=[CH:6]1)[N:28]=[C:18]([C@H:15]([CH2:4][CH2:3][CH2:11][NH:26][C:21](=[NH:24])[NH2:25])[NH2:23])[OH:30])[OH:31] |
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