| Properties | Image |
|---|
| MNX_ID | MNXM1120608 |
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| reference | chebi:157989 |
| formula | C16H28N6O5 |
| global charge | 0 |
| mol weight | 384.437 |
| InChIKey | JUCZDDVZBMPKRT-IXOXFDKPSA-N |
| InChI | InChI=1S/C16H28N6O5/c1-9(23)13(15(25)21-12(16(26)27)4-2-3-5-17)22-14(24)11(18)6-10-7-19-8-20-10/h7-9,11-13,23H,2-6,17-18H2,1H3,(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t9-,11+,12+,13+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H28N6O5/c1-9(23)13(15(25)21-12(16(26)27)4-2-3-5-17)22-14(24)11(18)6-10-7-19-8-20-10/h7-9,11-13,23H,2-6,17-18H2,1H3,(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t9-,11+,12+,13+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:13]([C:15](=[N:21][C@@H:12]([CH2:4][CH2:2][CH2:3][CH2:5][NH2:17])[C:16](=[O:26])[OH:27])[OH:25])[N:22]=[C:14]([C@H:11]([CH2:6][C:10]1=[CH:7][N:19]=[CH:8][NH:20]1)[NH2:18])[OH:24])[OH:23] |
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