| Properties | Image |
|---|
| MNX_ID | MNXM1121339 |
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| reference | chebi:158727 |
| formula | C16H31N9O6 |
| global charge | 0 |
| mol weight | 445.481 |
| InChIKey | BIOCIVSVEDFKDJ-GUBZILKMSA-N |
| InChI | InChI=1S/C16H31N9O6/c17-8(3-1-5-22-15(18)19)12(28)24-9(4-2-6-23-16(20)21)13(29)25-10(14(30)31)7-11(26)27/h8-10H,1-7,17H2,(H,24,28)(H,25,29)(H,26,27)(H,30,31)(H4,18,19,22)(H4,20,21,23)/t8-,9-,10-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N9O6/c17-8(3-1-5-22-15(18)19)12(28)24-9(4-2-6-23-16(20)21)13(29)25-10(14(30)31)7-11(26)27/h8-10H,1-7,17H2,(H,24,28)(H,25,29)(H,26,27)(H,30,31)(H4,18,19,22)(H4,20,21,23)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:3][C@@H:8]([C:12](=[N:24][C@@H:9]([CH2:4][CH2:2][CH2:6][NH:23][C:16](=[NH:20])[NH2:21])[C:13](=[N:25][C@@H:10]([CH2:7][C:11](=[O:26])[OH:27])[C:14](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:17])[CH2:5][NH:22][C:15](=[NH:18])[NH2:19] |
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