| Properties | Image |
| MNX_ID | MNXM1122342 |
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| reference | chebi:159735 |
| formula | C15H31N7O5 |
| global charge | 0 |
| mol weight | 389.457 |
| InChIKey | NQCJGQHHYZNUDK-DCAQKATOSA-N |
| InChI | InChI=1S/C15H31N7O5/c16-6-2-1-4-9(17)12(24)21-10(5-3-7-20-15(18)19)13(25)22-11(8-23)14(26)27/h9-11,23H,1-8,16-17H2,(H,21,24)(H,22,25)(H,26,27)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H31N7O5/c16-6-2-1-4-9(17)12(24)21-10(5-3-7-20-15(18)19)13(25)22-11(8-23)14(26)27/h9-11,23H,1-8,16-17H2,(H,21,24)(H,22,25)(H,26,27)(H4,18,19,20)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][NH2:16])[CH2:4][C@@H:9]([C:12](=[N:21][C@@H:10]([CH2:5][CH2:3][CH2:7][NH:20][C:15](=[NH:18])[NH2:19])[C:13](=[N:22][C@@H:11]([CH2:8][OH:23])[C:14](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:17] |
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