(2S)-3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[2-[(1-methyl-1,2,3,4-tetrazol-5-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-methyl-1,2,3,4-tetrazol-5-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-methyltetrazol-5-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-5-tetrazolyl)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-methyltetrazol-5-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-methyltetrazol-5-yl)thio]spiro[3.5]non-1-en-1-yl]amino]propionic acid Formula: C26H25Cl2N7O4S MolecularWeight: 602.4922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=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(=NN=N1)SC2=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/C26H25Cl2N7O4S/c1-35-25(32-33-34-35)40-20-21(26(22(20)36)9-3-2-4-10-26)31-18(24(38)39)11-14-5-7-15(8-6-14)30-23(37)19-16(27)12-29-13-17(19)28/h5-8,12-13,18,31H,2-4,9-11H2,1H3,(H,30,37)(H,38,39)/t18-/m0/s1