| Properties | Image |
|---|
| MNX_ID | MNXM744757 |
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| reference | biggM:ileglnglu |
| formula | C16H27N4O7 |
| global charge | -1 |
| mol weight | 387.413 |
| InChIKey | HOLOYAZCIHDQNS-XKNZDDLCSA-M |
| InChI | InChI=1S/C16H28N4O7/c1-3-8(2)13(18)15(25)19-9(4-6-11(17)21)14(24)20-10(16(26)27)5-7-12(22)23/h8-10,13H,3-7,18H2,1-2H3,(H2,17,21)(H,19,25)(H,20,24)(H,22,23)(H,26,27)/p-1/t8?,9-,10+,13+/m0/s1 |
| SMILES | CCC(C)[C@@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCC(=O)[O-])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H28N4O7/c1-3-8(2)13(18)15(25)19-9(4-6-11(17)21)14(24)20-10(16(26)27)5-7-12(22)23/h8-10,13H,3-7,18H2,1-2H3,(H2,17,21)(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t8?,9-,10+,13+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH:8]([CH3:2])[C@H:13]([C:15](=[N:19][C@@H:9]([CH2:4][CH2:6][C:11](=[NH:17])[OH:21])[C:14](=[N:20][C@H:10]([CH2:5][CH2:7][C:12](=[O:22])[OH:23])[C:16](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:18] |
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