| Properties | Image |
|---|
| MNX_ID | MNXM1121175 |
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| reference | chebi:158562 |
| formula | C16H31N3O5 |
| global charge | 0 |
| mol weight | 345.44 |
| InChIKey | PHRWFSFCNJPWRO-PPCPHDFISA-N |
| InChI | InChI=1S/C16H31N3O5/c1-6-9(4)12(17)15(22)18-11(7-8(2)3)14(21)19-13(10(5)20)16(23)24/h8-13,20H,6-7,17H2,1-5H3,(H,18,22)(H,19,21)(H,23,24)/t9-,10+,11-,12-,13-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N3O5/c1-6-9(4)12(17)15(22)18-11(7-8(2)3)14(21)19-13(10(5)20)16(23)24/h8-13,20H,6-7,17H2,1-5H3,(H,18,22)(H,19,21)(H,23,24)/t9-,10+,11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][C@H:9]([CH3:4])[C@@H:12]([C:15](=[N:18][C@@H:11]([CH2:7][CH:8]([CH3:2])[CH3:3])[C:14](=[N:19][C@@H:13]([C@@H:10]([CH3:5])[OH:20])[C:16](=[O:23])[OH:24])[OH:21])[OH:22])[NH2:17] |
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