| Properties | Image |
|---|
| MNX_ID | MNXM1122951 |
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| reference | chebi:160349 |
| formula | C14H26N6O7 |
| global charge | 0 |
| mol weight | 390.397 |
| InChIKey | NYLBGYLHBDFRHL-VEVYYDQMSA-N |
| InChI | InChI=1S/C14H26N6O7/c1-6(21)10(13(26)27)20-12(25)8(3-2-4-18-14(16)17)19-11(24)7(15)5-9(22)23/h6-8,10,21H,2-5,15H2,1H3,(H,19,24)(H,20,25)(H,22,23)(H,26,27)(H4,16,17,18)/t6-,7+,8+,10+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H26N6O7/c1-6(21)10(13(26)27)20-12(25)8(3-2-4-18-14(16)17)19-11(24)7(15)5-9(22)23/h6-8,10,21H,2-5,15H2,1H3,(H,19,24)(H,20,25)(H,22,23)(H,26,27)(H4,16,17,18)/t6-,7+,8+,10+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:6]([C@@H:10]([C:13](=[O:26])[OH:27])[N:20]=[C:12]([C@H:8]([CH2:3][CH2:2][CH2:4][NH:18][C:14](=[NH:16])[NH2:17])[N:19]=[C:11]([C@H:7]([CH2:5][C:9](=[O:22])[OH:23])[NH2:15])[OH:24])[OH:25])[OH:21] |
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