| Properties | Image |
|---|
| MNX_ID | MNXM1124578 |
 |
| reference | chebi:161983 |
| formula | C15H27N7O7 |
| global charge | 0 |
| mol weight | 417.423 |
| InChIKey | BTSPOOHJBYJRKO-CIUDSAMLSA-N |
| InChI | InChI=1S/C15H27N7O7/c16-7(3-4-10(17)23)12(26)22-9(6-11(24)25)13(27)21-8(14(28)29)2-1-5-20-15(18)19/h7-9H,1-6,16H2,(H2,17,23)(H,21,27)(H,22,26)(H,24,25)(H,28,29)(H4,18,19,20)/t7-,8-,9-/m0/s1 |
| SMILES | NC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H27N7O7/c16-7(3-4-10(17)23)12(26)22-9(6-11(24)25)13(27)21-8(14(28)29)2-1-5-20-15(18)19/h7-9H,1-6,16H2,(H2,17,23)(H,21,27)(H,22,26)(H,24,25)(H,28,29)(H4,18,19,20)/t7-,8-,9-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:8]([C:14](=[O:28])[OH:29])[N:21]=[C:13]([C@H:9]([CH2:6][C:11](=[O:24])[OH:25])[N:22]=[C:12]([C@H:7]([CH2:3][CH2:4][C:10](=[NH:17])[OH:23])[NH2:16])[OH:26])[OH:27])[CH2:5][NH:20][C:15](=[NH:18])[NH2:19] |
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