[(Z)-[azanyl-[4-[3-[[1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethyl-phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]propylcarbamoyl]phenyl]methylidene]amino] ethanoate

Systemtic Name: [(Z)-[azanyl-[4-[3-[[1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethyl-phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]propylcarbamoyl]phenyl]methylidene]amino] ethanoate Openeye Name: [(Z)-[amino-[4-[3-[[1-[3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2,4-dimethyl-phenyl]sulfonylpyrrolidine-2-carbonyl]amino]propylcarbamoyl]phenyl]methylene]amino] acetate CAS Name: acetic acid [(Z)-[amino-[4-[[3-[[[1-[3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]-2,4-dimethylphenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]propylamino]-oxomethyl]phenyl]methylidene]amino] ester IUPAC Name: [(Z)-[amino-[4-[3-[[1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethylphenyl]sulfonylpyrrolidine-2-carbonyl]amino]propylcarbamoyl]phenyl]methylidene]amino] acetate Traditional Name: acetic acid [(Z)-[amino-[4-[3-[[1-[3-[(2,4-dimethyl-8-quinolyl)oxymethyl]-2,4-dimethyl-phenyl]sulfonylprolyl]amino]propylcarbamoyl]phenyl]methylene]amino] ester Formula: C38H44N6O7S MolecularWeight: 728.85696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCNC(=O)C3=CC=C(C=C3)C(=NOC(=O)C)N)C)COC4=CC=CC5=C4N=C(C=C5C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCNC(=O)C3=CC=C(C=C3)/C(=N/OC(=O)C)/N)C)COC4=CC=CC5=C4N=C(C=C5C)C

InChI

InChI=1S/C38H44N6O7S/c1-23-12-17-34(26(4)31(23)22-50-33-11-6-9-30-24(2)21-25(3)42-35(30)33)52(48,49)44-20-7-10-32(44)38(47)41-19-8-18-40-37(46)29-15-13-28(14-16-29)36(39)43-51-27(5)45/h6,9,11-17,21,32H,7-8,10,18-20,22H2,1-5H3,(H2,39,43)(H,40,46)(H,41,47)