| Properties | Image |
|---|
| MNX_ID | MNXM1121510 |
 |
| reference | chebi:158898 |
| formula | C17H33N7O5 |
| global charge | 0 |
| mol weight | 415.495 |
| InChIKey | JCAISGGAOQXEHJ-ZPFDUUQYSA-N |
| InChI | InChI=1S/C17H33N7O5/c1-3-9(2)13(16(28)29)24-15(27)11(6-7-12(19)25)23-14(26)10(18)5-4-8-22-17(20)21/h9-11,13H,3-8,18H2,1-2H3,(H2,19,25)(H,23,26)(H,24,27)(H,28,29)(H4,20,21,22)/t9-,10-,11-,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H33N7O5/c1-3-9(2)13(16(28)29)24-15(27)11(6-7-12(19)25)23-14(26)10(18)5-4-8-22-17(20)21/h9-11,13H,3-8,18H2,1-2H3,(H2,19,25)(H,23,26)(H,24,27)(H,28,29)(H4,20,21,22)/t9-,10-,11-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C@H:9]([CH3:2])[C@@H:13]([C:16](=[O:28])[OH:29])[N:24]=[C:15]([C@H:11]([CH2:6][CH2:7][C:12](=[NH:19])[OH:25])[N:23]=[C:14]([C@H:10]([CH2:5][CH2:4][CH2:8][NH:22][C:17](=[NH:20])[NH2:21])[NH2:18])[OH:26])[OH:27] |
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