(1-methylpyrrolidin-3-yl) (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: (1-methylpyrrolidin-3-yl) (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: (1-methylpyrrolidin-3-yl) (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 (1-methyl-3-pyrrolidinyl) ester IUPAC Name: (1-methylpyrrolidin-3-yl) (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 (1-methylpyrrolidin-3-yl) ester Formula: C29H31BrCl2N4O4 MolecularWeight: 650.39084

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC(=O)C(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)NC4=C(C(=O)C45CCCCC5)Br

Isomeric SMILES

CN1CCC(C1)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/C29H31BrCl2N4O4/c1-36-12-9-19(16-36)40-28(39)22(35-25-24(30)26(37)29(25)10-3-2-4-11-29)13-17-5-7-18(8-6-17)34-27(38)23-20(31)14-33-15-21(23)32/h5-8,14-15,19,22,35H,2-4,9-13,16H2,1H3,(H,34,38)/t19?,22-/m0/s1