| Properties | Image |
|---|
| MNX_ID | MNXM744915 |
 |
| reference | biggM:thrserarg |
| formula | C13H27N6O6 |
| global charge | 1 |
| mol weight | 363.395 |
| InChIKey | PRTHQBSMXILLPC-LURQLKTLSA-O |
| InChI | InChI=1S/C13H26N6O6/c1-6(21)9(14)11(23)19-8(5-20)10(22)18-7(12(24)25)3-2-4-17-13(15)16/h6-9,20-21H,2-5,14H2,1H3,(H,18,22)(H,19,23)(H,24,25)(H4,15,16,17)/p+1/t6-,7-,8+,9-/m1/s1 |
| SMILES | C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H26N6O6/c1-6(21)9(14)11(23)19-8(5-20)10(22)18-7(12(24)25)3-2-4-17-13(15)16/h6-9,20-21H,2-5,14H2,1H3,(H,18,22)(H,19,23)(H,24,25)(H4,15,16,17)/t6-,7-,8+,9-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:6]([C@H:9]([C:11](=[N:19][C@@H:8]([CH2:5][OH:20])[C:10](=[N:18][C@H:7]([CH2:3][CH2:2][CH2:4][NH:17][C:13](=[NH:15])[NH2:16])[C:12](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:14])[OH:21] |
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