| Properties | Image |
|---|
| MNX_ID | MNXM1121577 |
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| reference | chebi:158965 |
| formula | C18H37N9O4 |
| global charge | 0 |
| mol weight | 443.553 |
| InChIKey | NTRAGDHVSGKUSF-AVGNSLFASA-N |
| InChI | InChI=1S/C18H37N9O4/c1-10(2)9-11(19)14(28)26-12(5-3-7-24-17(20)21)15(29)27-13(16(30)31)6-4-8-25-18(22)23/h10-13H,3-9,19H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t11-,12-,13-/m0/s1 |
| SMILES | CC(C)C[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/C18H37N9O4/c1-10(2)9-11(19)14(28)26-12(5-3-7-24-17(20)21)15(29)27-13(16(30)31)6-4-8-25-18(22)23/h10-13H,3-9,19H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,20,21,24)(H4,22,23,25)/t11-,12-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[CH2:9][C@@H:11]([C:14](=[N:26][C@@H:12]([CH2:5][CH2:3][CH2:7][NH:24][C:17](=[NH:20])[NH2:21])[C:15](=[N:27][C@@H:13]([CH2:6][CH2:4][CH2:8][NH:25][C:18](=[NH:22])[NH2:23])[C:16](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:19] |
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