| Properties | Image |
|---|
| MNX_ID | MNXM1121613 |
 |
| reference | chebi:159001 |
| formula | C21H34N6O5 |
| global charge | 0 |
| mol weight | 450.54 |
| InChIKey | CUXRXAIAVYLVFD-ULQDDVLXSA-N |
| InChI | InChI=1S/C21H34N6O5/c1-12(2)10-15(22)18(29)26-16(4-3-9-25-21(23)24)19(30)27-17(20(31)32)11-13-5-7-14(28)8-6-13/h5-8,12,15-17,28H,3-4,9-11,22H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t15-,16-,17-/m0/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H34N6O5/c1-12(2)10-15(22)18(29)26-16(4-3-9-25-21(23)24)19(30)27-17(20(31)32)11-13-5-7-14(28)8-6-13/h5-8,12,15-17,28H,3-4,9-11,22H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t15-,16-,17-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH2:10][C@@H:15]([C:18](=[N:26][C@@H:16]([CH2:4][CH2:3][CH2:9][NH:25][C:21](=[NH:23])[NH2:24])[C:19](=[N:27][C@@H:17]([CH2:11][C:13]1=[CH:6][CH:8]=[C:14]([OH:28])[CH:7]=[CH:5]1)[C:20](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:22] |
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