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

Systemtic Name: (2S)-3-[4-[[3,5-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium-4-yl]carbonylamino]phenyl]-2-[(2-bromanyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl)amino]propanoate Openeye Name: (2S)-2-[(2-bromo-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3,5-dichloro-1-oxido-pyridin-1-ium-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-1-oxido-4-pyridin-1-iumyl)-oxomethyl]amino]phenyl]propanoate IUPAC Name: (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3,5-dichloro-1-oxidopyridin-1-ium-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-dichloro-1-oxido-pyridin-1-ium-4-carbonyl)amino]phenyl]propionate Formula: C24H21BrCl2N3O5- MolecularWeight: 582.25064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=[N+](C=C4Cl)[O-])Cl)C(=O)[O-]

Isomeric SMILES

C1CCC2(CC1)C(=C(C2=O)Br)N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=C(C=[N+](C=C4Cl)[O-])Cl)C(=O)[O-]

InChI

InChI=1S/C24H22BrCl2N3O5/c25-19-20(24(21(19)31)8-2-1-3-9-24)29-17(23(33)34)10-13-4-6-14(7-5-13)28-22(32)18-15(26)11-30(35)12-16(18)27/h4-7,11-12,17,29H,1-3,8-10H2,(H,28,32)(H,33,34)/p-1/t17-/m0/s1