3-[[3-[(4-tert-butylphenyl)carbonylamino]-4-(3,5-dimethylmorpholin-4-yl)phenyl]carbonylamino]-3-(3,4-dichlorophenyl)propanoic acid

Systemtic Name: 3-[[3-[(4-tert-butylphenyl)carbonylamino]-4-(3,5-dimethylmorpholin-4-yl)phenyl]carbonylamino]-3-(3,4-dichlorophenyl)propanoic acid Openeye Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(3,5-dimethylmorpholin-4-yl)benzoyl]amino]-3-(3,4-dichlorophenyl)propanoic acid CAS Name: 3-[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(3,5-dimethyl-4-morpholinyl)phenyl]-oxomethyl]amino]-3-(3,4-dichlorophenyl)propanoic acid IUPAC Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(3,5-dimethylmorpholin-4-yl)benzoyl]amino]-3-(3,4-dichlorophenyl)propanoic acid Traditional Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(3,5-dimethylmorpholino)benzoyl]amino]-3-(3,4-dichlorophenyl)propionic acid Formula: C33H37Cl2N3O5 MolecularWeight: 626.56998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC(=C(C=C3)Cl)Cl)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1COCC(N1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC(=C(C=C3)Cl)Cl)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C33H37Cl2N3O5/c1-19-17-43-18-20(2)38(19)29-13-9-23(15-28(29)37-31(41)21-6-10-24(11-7-21)33(3,4)5)32(42)36-27(16-30(39)40)22-8-12-25(34)26(35)14-22/h6-15,19-20,27H,16-18H2,1-5H3,(H,36,42)(H,37,41)(H,39,40)