HU2
(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID
Find entries where: HU2
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID |
| Synonyms | Ketoamide Inhibitor CVS4819, bound form |
| Identifiers | (2S)-2-[2-[[(3S)-3-[[(2S)-4-methyl-2-[[(E,2S)-7-methyl-2-propan-2-yl-oct-4-enoyl]amino]pentanoyl]amino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoic acid |
| Formula | C34 H52 N4 O7 |
| Molecular Weight | 628.799 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C/C=C/CC(C)C)C(C)C |
| InChI | InChI=1S/C34H52N4O7/c1-8-14-26(30(40)33(43)35-20-28(39)38-29(34(44)45)24-16-10-9-11-17-24)36-32(42)27(19-22(4)5)37-31(41)25(23(6)7)18-13-12-15-21(2)3/h9-13,16-17,21-23,25-27,29H,8,14-15,18-20H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,39)(H,44,45)/b13-12+/t25-,26-,27-,29-/m0/s1 |
| InChIKey | KWTWSYDWITXSOY-IMAVGDMBSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 97 |
| Chiral Atom Count | 4 |
| Bond Count | 97 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 49867132 |
