| Properties | Image |
|---|
| MNX_ID | MNXM1121699 |
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| reference | chebi:159088 |
| formula | C17H33N7O5 |
| global charge | 0 |
| mol weight | 415.495 |
| InChIKey | GMFAGHNRXPSSJS-SRVKXCTJSA-N |
| InChI | InChI=1S/C17H33N7O5/c1-9(2)8-12(15(27)23-11(16(28)29)5-6-13(19)25)24-14(26)10(18)4-3-7-22-17(20)21/h9-12H,3-8,18H2,1-2H3,(H2,19,25)(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/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(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H33N7O5/c1-9(2)8-12(15(27)23-11(16(28)29)5-6-13(19)25)24-14(26)10(18)4-3-7-22-17(20)21/h9-12H,3-8,18H2,1-2H3,(H2,19,25)(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/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:23][C@@H:11]([CH2:5][CH2:6][C:13](=[NH:19])[OH:25])[C:16](=[O:28])[OH:29])[OH:27])[N:24]=[C:14]([C@H:10]([CH2:4][CH2:3][CH2:7][NH:22][C:17](=[NH:20])[NH2:21])[NH2:18])[OH:26] |
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