| Properties | Image |
|---|
| MNX_ID | MNXM1121504 |
 |
| reference | chebi:158892 |
| formula | C16H29N7O7 |
| global charge | 0 |
| mol weight | 431.45 |
| InChIKey | VDBKFYYIBLXEIF-GUBZILKMSA-N |
| InChI | InChI=1S/C16H29N7O7/c17-8(2-1-7-21-16(19)20)13(27)22-9(3-5-11(18)24)14(28)23-10(15(29)30)4-6-12(25)26/h8-10H,1-7,17H2,(H2,18,24)(H,22,27)(H,23,28)(H,25,26)(H,29,30)(H4,19,20,21)/t8-,9-,10-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H29N7O7/c17-8(2-1-7-21-16(19)20)13(27)22-9(3-5-11(18)24)14(28)23-10(15(29)30)4-6-12(25)26/h8-10H,1-7,17H2,(H2,18,24)(H,22,27)(H,23,28)(H,25,26)(H,29,30)(H4,19,20,21)/t8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:8]([C:13](=[N:22][C@@H:9]([CH2:3][CH2:5][C:11](=[NH:18])[OH:24])[C:14](=[N:23][C@@H:10]([CH2:4][CH2:6][C:12](=[O:25])[OH:26])[C:15](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:17])[CH2:7][NH:21][C:16](=[NH:19])[NH2:20] |
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