| Properties | Image |
| MNX_ID | MNXM1125448 |
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| reference | chebi:162860 |
| formula | C16H28N4O7 |
| global charge | 0 |
| mol weight | 388.421 |
| InChIKey | PVBBEKPHARMPHX-DCAQKATOSA-N |
| InChI | InChI=1S/C16H28N4O7/c1-8(2)7-11(16(26)27)20-15(25)10(4-5-12(18)21)19-14(24)9(17)3-6-13(22)23/h8-11H,3-7,17H2,1-2H3,(H2,18,21)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t9-,10-,11-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H28N4O7/c1-8(2)7-11(16(26)27)20-15(25)10(4-5-12(18)21)19-14(24)9(17)3-6-13(22)23/h8-11H,3-7,17H2,1-2H3,(H2,18,21)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:8]([CH3:2])[CH2:7][C@@H:11]([C:16](=[O:26])[OH:27])[N:20]=[C:15]([C@H:10]([CH2:4][CH2:5][C:12](=[NH:18])[OH:21])[N:19]=[C:14]([C@H:9]([CH2:3][CH2:6][C:13](=[O:22])[OH:23])[NH2:17])[OH:24])[OH:25] |
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