(2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[2-(1-methylimidazol-2-yl)sulfanyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[2-(1-methylimidazol-2-yl)sulfanyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl]amino]propanoic acid Openeye Name: (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(1-methylimidazol-2-yl)sulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl]amino]propanoic acid CAS Name: (2S)-3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]-2-[[2-[(1-methyl-2-imidazolyl)thio]-3-oxo-1-spiro[3.5]non-1-enyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(1-methylimidazol-2-yl)sulfanyl-3-oxospiro[3.5]non-1-en-1-yl]amino]propanoic acid Traditional Name: (2S)-3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]-2-[[3-keto-2-[(1-methylimidazol-2-yl)thio]spiro[3.5]non-1-en-1-yl]amino]propionic acid Formula: C28H27Cl2N5O4S MolecularWeight: 600.51608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C3(C2=O)CCCCC3)NC(CC4=CC=C(C=C4)NC(=O)C5=C(C=NC=C5Cl)Cl)C(=O)O

Isomeric SMILES

CN1C=CN=C1SC2=C(C3(C2=O)CCCCC3)N[C@@H](CC4=CC=C(C=C4)NC(=O)C5=C(C=NC=C5Cl)Cl)C(=O)O

InChI

InChI=1S/C28H27Cl2N5O4S/c1-35-12-11-32-27(35)40-22-23(28(24(22)36)9-3-2-4-10-28)34-20(26(38)39)13-16-5-7-17(8-6-16)33-25(37)21-18(29)14-31-15-19(21)30/h5-8,11-12,14-15,20,34H,2-4,9-10,13H2,1H3,(H,33,37)(H,38,39)/t20-/m0/s1