(2S)-2-[[6-(4-tert-butylphenoxy)-3-ethylsulfanyl-quinoxalin-2-yl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: (2S)-2-[[6-(4-tert-butylphenoxy)-3-ethylsulfanyl-quinoxalin-2-yl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: (2S)-2-[[6-(4-tert-butylphenoxy)-3-ethylsulfanyl-quinoxaline-2-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: (2S)-2-[[[6-(4-tert-butylphenoxy)-3-(ethylthio)-2-quinoxalinyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-2-[[6-(4-tert-butylphenoxy)-3-ethylsulfanylquinoxaline-2-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: (2S)-2-[[6-(4-tert-butylphenoxy)-3-(ethylthio)quinoxaline-2-carbonyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C36H35N3O4S MolecularWeight: 605.7458

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=CC(=C2)OC3=CC=C(C=C3)C(C)(C)C)N=C1C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCSC1=NC2=C(C=CC(=C2)OC3=CC=C(C=C3)C(C)(C)C)N=C1C(=O)N[C@@H](CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C36H35N3O4S/c1-5-44-34-32(33(40)38-31(35(41)42)21-23-11-13-25(14-12-23)24-9-7-6-8-10-24)37-29-20-19-28(22-30(29)39-34)43-27-17-15-26(16-18-27)36(2,3)4/h6-20,22,31H,5,21H2,1-4H3,(H,38,40)(H,41,42)/t31-/m0/s1