| Properties | Image |
|---|
| MNX_ID | MNXM1122501 |
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| reference | chebi:159894 |
| formula | C15H29N5O6 |
| global charge | 0 |
| mol weight | 375.426 |
| InChIKey | HEWWNLVEWBJBKA-WDCWCFNPSA-N |
| InChI | InChI=1S/C15H29N5O6/c1-8(21)12(15(25)26)20-14(24)10(5-6-11(18)22)19-13(23)9(17)4-2-3-7-16/h8-10,12,21H,2-7,16-17H2,1H3,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t8-,9+,10+,12+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H29N5O6/c1-8(21)12(15(25)26)20-14(24)10(5-6-11(18)22)19-13(23)9(17)4-2-3-7-16/h8-10,12,21H,2-7,16-17H2,1H3,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t8-,9+,10+,12+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:8]([C@@H:12]([C:15](=[O:25])[OH:26])[N:20]=[C:14]([C@H:10]([CH2:5][CH2:6][C:11](=[NH:18])[OH:22])[N:19]=[C:13]([C@H:9]([CH2:4][CH2:2][CH2:3][CH2:7][NH2:16])[NH2:17])[OH:23])[OH:24])[OH:21] |
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