| Properties | Image |
|---|
| MNX_ID | MNXM1121502 |
 |
| reference | chebi:158890 |
| formula | C16H30N8O6 |
| global charge | 0 |
| mol weight | 430.466 |
| InChIKey | KBBKCNHWCDJPGN-GUBZILKMSA-N |
| InChI | InChI=1S/C16H30N8O6/c17-8(2-1-7-22-16(20)21)13(27)23-9(3-5-11(18)25)14(28)24-10(15(29)30)4-6-12(19)26/h8-10H,1-7,17H2,(H2,18,25)(H2,19,26)(H,23,27)(H,24,28)(H,29,30)(H4,20,21,22)/t8-,9-,10-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H30N8O6/c17-8(2-1-7-22-16(20)21)13(27)23-9(3-5-11(18)25)14(28)24-10(15(29)30)4-6-12(19)26/h8-10H,1-7,17H2,(H2,18,25)(H2,19,26)(H,23,27)(H,24,28)(H,29,30)(H4,20,21,22)/t8-,9-,10-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:8]([C:13](=[N:23][C@@H:9]([CH2:3][CH2:5][C:11](=[NH:18])[OH:25])[C:14](=[N:24][C@@H:10]([CH2:4][CH2:6][C:12](=[NH:19])[OH:26])[C:15](=[O:29])[OH:30])[OH:28])[OH:27])[NH2:17])[CH2:7][NH:22][C:16](=[NH:20])[NH2:21] |
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