55L
(R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate
Find entries where: 55L
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate |
| Identifiers | (4S)-5-azanyl-4-[[(2S)-2-[[(2R)-2-[[3-[4-(3-chlorophenyl)phenyl]-1,2-oxazol-5-yl]methyl]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid |
| Formula | C30 H31 Cl N4 O10 |
| Molecular Weight | 643.041 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N |
| InChI | InChI=1S/C30H31ClN4O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(45-35-24)13-19(14-27(40)41)29(43)34-23(9-11-26(38)39)30(44)33-22(28(32)42)8-10-25(36)37/h1-7,12,15,19,22-23H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,36,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1 |
| InChIKey | IXVAVGNSYYZTEW-OIBXWCBGSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 76 |
| Chiral Atom Count | 3 |
| Bond Count | 78 |
| Aromatic Bond Count | 17 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 121488085 |
| ChEMBL | CHEMBL4099825 |
