| Properties | Image |
|---|
| MNX_ID | MNXM1121702 |
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| reference | chebi:159091 |
| formula | C17H32N6O6 |
| global charge | 0 |
| mol weight | 416.479 |
| InChIKey | OTZMRMHZCMZOJZ-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H32N6O6/c1-9(2)8-12(15(27)22-11(16(28)29)5-6-13(24)25)23-14(26)10(18)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H32N6O6/c1-9(2)8-12(15(27)22-11(16(28)29)5-6-13(24)25)23-14(26)10(18)4-3-7-21-17(19)20/h9-12H,3-8,18H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)(H4,19,20,21)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[CH2:8][C@@H:12]([C:15](=[N:22][C@@H:11]([CH2:5][CH2:6][C:13](=[O:24])[OH:25])[C:16](=[O:28])[OH:29])[OH:27])[N:23]=[C:14]([C@H:10]([CH2:4][CH2:3][CH2:7][NH:21][C:17](=[NH:19])[NH2:20])[NH2:18])[OH:26] |
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