| Properties | Image |
| MNX_ID | MNXM1124715 |
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| reference | chebi:162120 |
| formula | C16H29N5O7 |
| global charge | 0 |
| mol weight | 403.436 |
| InChIKey | MAGNEQBFSBREJL-DCAQKATOSA-N |
| InChI | InChI=1S/C16H29N5O7/c17-8-2-1-3-11(16(27)28)21-15(26)10(5-7-13(23)24)20-14(25)9(18)4-6-12(19)22/h9-11H,1-8,17-18H2,(H2,19,22)(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t9-,10-,11-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H29N5O7/c17-8-2-1-3-11(16(27)28)21-15(26)10(5-7-13(23)24)20-14(25)9(18)4-6-12(19)22/h9-11H,1-8,17-18H2,(H2,19,22)(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:17])[CH2:3][C@@H:11]([C:16](=[O:27])[OH:28])[N:21]=[C:15]([C@H:10]([CH2:5][CH2:7][C:13](=[O:23])[OH:24])[N:20]=[C:14]([C@H:9]([CH2:4][CH2:6][C:12](=[NH:19])[OH:22])[NH2:18])[OH:25])[OH:26] |
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