BCQ
N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE
Find entries where: BCQ
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE |
| Identifiers | N-[(2R)-3-[(3,5-dimethyl-2,5-dihydro-1,2-oxazol-4-yl)methylsulfonyl]-1-oxo-1-[[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]morpholine-4-carboxamide |
| Formula | C31 H42 N4 O8 S2 |
| Molecular Weight | 662.817 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1C(=C(NO1)C)CS(=O)(=O)C[C@@H](C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c3ccccc3)NC(=O)N4CCOCC4 |
| InChI | InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1 |
| InChIKey | KPLOSZKQTFPNFM-MIUCGUHXSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 87 |
| Chiral Atom Count | 3 |
| Bond Count | 90 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 20846105 |
