4QB
3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID
Find entries where: 4QB
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID |
| Identifiers | (3S)-3-[[(2R)-2-ethyl-6-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]hexanoyl]amino]-4-oxo-butanoic acid |
| Formula | C27 H31 N5 O5 |
| Molecular Weight | 505.566 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC[C@H](CCCCNC(=O)c1ccc(cc1)Nc2cnc3ccccc3n2)C(=O)N[C@@H](CC(=O)O)C=O |
| InChI | InChI=1S/C27H31N5O5/c1-2-18(27(37)31-21(17-33)15-25(34)35)7-5-6-14-28-26(36)19-10-12-20(13-11-19)30-24-16-29-22-8-3-4-9-23(22)32-24/h3-4,8-13,16-18,21H,2,5-7,14-15H2,1H3,(H,28,36)(H,30,32)(H,31,37)(H,34,35)/t18-,21+/m1/s1 |
| InChIKey | LFXGHNVCJJFHJJ-NQIIRXRSSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 68 |
| Chiral Atom Count | 2 |
| Bond Count | 70 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 5287520 |
