| Properties | Image |
|---|
| MNX_ID | MNXM1122024 |
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| reference | chebi:159413 |
| formula | C21H34N6O5 |
| global charge | 0 |
| mol weight | 450.54 |
| InChIKey | QJWLLRZTJFPCHA-STECZYCISA-N |
| InChI | InChI=1S/C21H34N6O5/c1-3-12(2)17(20(31)32)27-19(30)16(11-13-6-8-14(28)9-7-13)26-18(29)15(22)5-4-10-25-21(23)24/h6-9,12,15-17,28H,3-5,10-11,22H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t12-,15-,16-,17-/m0/s1 |
| SMILES | CC[C@H](C)[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/C21H34N6O5/c1-3-12(2)17(20(31)32)27-19(30)16(11-13-6-8-14(28)9-7-13)26-18(29)15(22)5-4-10-25-21(23)24/h6-9,12,15-17,28H,3-5,10-11,22H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t12-,15-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:12]([CH3:2])[C@@H:17]([C:20](=[O:31])[OH:32])[N:27]=[C:19]([C@H:16]([CH2:11][C:13]1=[CH:7][CH:9]=[C:14]([OH:28])[CH:8]=[CH:6]1)[N:26]=[C:18]([C@H:15]([CH2:5][CH2:4][CH2:10][NH:25][C:21](=[NH:23])[NH2:24])[NH2:22])[OH:29])[OH:30] |
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