5-azanyl-2-[[4-[(4-fluorophenyl)-(2-imidazol-1-ylethyl)amino]-2-phenyl-phenyl]carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-azanyl-2-[[4-[(4-fluorophenyl)-(2-imidazol-1-ylethyl)amino]-2-phenyl-phenyl]carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: 5-amino-2-[[4-[4-fluoro-N-(2-imidazol-1-ylethyl)anilino]-2-phenyl-benzoyl]amino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[[4-[4-fluoro-N-[2-(1-imidazolyl)ethyl]anilino]-2-phenylphenyl]-oxomethyl]amino]-5-oxopentanoate IUPAC Name: 5-amino-2-[[4-[4-fluoro-N-(2-imidazol-1-ylethyl)anilino]-2-phenylbenzoyl]amino]-5-oxopentanoate Traditional Name: 5-amino-2-[[4-[4-fluoro-N-(2-imidazol-1-ylethyl)anilino]-2-phenyl-benzoyl]amino]-5-keto-valerate Formula: C29H27FN5O4- MolecularWeight: 528.554183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)N(CCN3C=CN=C3)C4=CC=C(C=C4)F)C(=O)NC(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)N(CCN3C=CN=C3)C4=CC=C(C=C4)F)C(=O)NC(CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C29H28FN5O4/c30-21-6-8-22(9-7-21)35(17-16-34-15-14-32-19-34)23-10-11-24(25(18-23)20-4-2-1-3-5-20)28(37)33-26(29(38)39)12-13-27(31)36/h1-11,14-15,18-19,26H,12-13,16-17H2,(H2,31,36)(H,33,37)(H,38,39)/p-1