| Properties | Image |
| MNX_ID | MNXM1122140 |
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| reference | chebi:159530 |
| formula | C16H27N5O5 |
| global charge | 0 |
| mol weight | 369.422 |
| InChIKey | FGZVGOAAROXFAB-IXOXFDKPSA-N |
| InChI | InChI=1S/C16H27N5O5/c1-8(2)4-11(17)14(23)21-13(9(3)22)15(24)20-12(16(25)26)5-10-6-18-7-19-10/h6-9,11-13,22H,4-5,17H2,1-3H3,(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,11+,12+,13+/m1/s1 |
| SMILES | CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C16H27N5O5/c1-8(2)4-11(17)14(23)21-13(9(3)22)15(24)20-12(16(25)26)5-10-6-18-7-19-10/h6-9,11-13,22H,4-5,17H2,1-3H3,(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,11+,12+,13+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:4][C@@H:11]([C:14](=[N:21][C@@H:13]([C@@H:9]([CH3:3])[OH:22])[C:15](=[N:20][C@@H:12]([CH2:5][C:10]1=[CH:6][N:18]=[CH:7][NH:19]1)[C:16](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:17] |
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