cyclohexyl (2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[(2-bromanyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl)amino]propanoate

Systemtic Name: cyclohexyl (2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[(2-bromanyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl)amino]propanoate Openeye Name: cyclohexyl (2S)-2-[(2-bromo-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate CAS Name: (2S)-2-[(2-bromo-3-oxo-1-spiro[3.5]non-1-enyl)amino]-3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate Traditional Name: (2S)-2-[(2-bromo-3-keto-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]propionic acid cyclohexyl ester Formula: C30H32BrCl2N3O4 MolecularWeight: 649.40278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)NC4=C(C(=O)C45CCCCC5)Br

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@H](CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)NC4=C(C(=O)C45CCCCC5)Br

InChI

InChI=1S/C30H32BrCl2N3O4/c31-25-26(30(27(25)37)13-5-2-6-14-30)36-23(29(39)40-20-7-3-1-4-8-20)15-18-9-11-19(12-10-18)35-28(38)24-21(32)16-34-17-22(24)33/h9-12,16-17,20,23,36H,1-8,13-15H2,(H,35,38)/t23-/m0/s1