| Properties | Image |
|---|
| MNX_ID | MNXM1121389 |
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| reference | chebi:158777 |
| formula | C16H27N9O5 |
| global charge | 0 |
| mol weight | 425.45 |
| InChIKey | NUBPTCMEOCKWDO-DCAQKATOSA-N |
| InChI | InChI=1S/C16H27N9O5/c17-9(2-1-3-22-16(19)20)13(27)24-10(5-12(18)26)14(28)25-11(15(29)30)4-8-6-21-7-23-8/h6-7,9-11H,1-5,17H2,(H2,18,26)(H,21,23)(H,24,27)(H,25,28)(H,29,30)(H4,19,20,22)/t9-,10-,11-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H27N9O5/c17-9(2-1-3-22-16(19)20)13(27)24-10(5-12(18)26)14(28)25-11(15(29)30)4-8-6-21-7-23-8/h6-7,9-11H,1-5,17H2,(H2,18,26)(H,21,23)(H,24,27)(H,25,28)(H,29,30)(H4,19,20,22)/t9-,10-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:9]([C:13](=[N:24][C@@H:10]([CH2:5][C:12](=[NH:18])[OH:26])[C:14](=[N:25][C@@H:11]([CH2:4][C:8]1=[CH:6][N:21]=[CH:7][NH:23]1)[C:15](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:17])[CH2:3][NH:22][C:16](=[NH:19])[NH2:20] |
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