| Properties | Image |
|---|
| MNX_ID | MNXM744755 |
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| reference | biggM:ileasnhis |
| formula | C16H26N6O5 |
| global charge | 0 |
| mol weight | 382.421 |
| InChIKey | IIXDMJNYALIKGP-DUQDJFPFSA-N |
| InChI | InChI=1S/C16H26N6O5/c1-3-8(2)13(18)15(25)21-10(5-12(17)23)14(24)22-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,18H2,1-2H3,(H2,17,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8?,10-,11+,13+/m0/s1 |
| SMILES | CCC(C)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC1=CNC=N1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H26N6O5/c1-3-8(2)13(18)15(25)21-10(5-12(17)23)14(24)22-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,18H2,1-2H3,(H2,17,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8?,10-,11+,13+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH:8]([CH3:2])[C@H:13]([C:15](=[N:21][C@@H:10]([CH2:5][C:12](=[NH:17])[OH:23])[C:14](=[N:22][C@H:11]([CH2:4][C:9]1=[CH:6][N:19]=[CH:7][NH:20]1)[C:16](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:18] |
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