| Properties | Image |
|---|
| MNX_ID | MNXM1122315 |
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| reference | chebi:159707 |
| formula | C18H38N10O4 |
| global charge | 0 |
| mol weight | 458.568 |
| InChIKey | CLBGMWIYPYAZPR-AVGNSLFASA-N |
| InChI | InChI=1S/C18H38N10O4/c19-8-2-1-5-11(20)14(29)27-12(6-3-9-25-17(21)22)15(30)28-13(16(31)32)7-4-10-26-18(23)24/h11-13H,1-10,19-20H2,(H,27,29)(H,28,30)(H,31,32)(H4,21,22,25)(H4,23,24,26)/t11-,12-,13-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H38N10O4/c19-8-2-1-5-11(20)14(29)27-12(6-3-9-25-17(21)22)15(30)28-13(16(31)32)7-4-10-26-18(23)24/h11-13H,1-10,19-20H2,(H,27,29)(H,28,30)(H,31,32)(H4,21,22,25)(H4,23,24,26)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:19])[CH2:5][C@@H:11]([C:14](=[N:27][C@@H:12]([CH2:6][CH2:3][CH2:9][NH:25][C:17](=[NH:21])[NH2:22])[C:15](=[N:28][C@@H:13]([CH2:7][CH2:4][CH2:10][NH:26][C:18](=[NH:23])[NH2:24])[C:16](=[O:31])[OH:32])[OH:30])[OH:29])[NH2:20] |
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