4NK
(1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium
Find entries where: 4NK
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium |
| Identifiers | [(2S)-3-[2-[(2R)-2-[[(4S)-4-azaniumyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]sulfinyl-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium |
| Formula | C17 H29 N5 O8 S |
| Molecular Weight | 463.506 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O |
| InChI | InChI=1S/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/p+2/t10-,11-,12-,31-/m0/s1 |
| InChIKey | SJHLSLUUWIBQNS-HBCRSHFUSA-P |
Chemical Details | |
|---|---|
| Formal Charge | 2 |
| Atom Count | 60 |
| Chiral Atom Count | 4 |
| Bond Count | 60 |
| Aromatic Bond Count | 5 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 91809509 |
