(2R,3S)-4-[(2R)-1-chloranyl-3-(propan-2-ylazaniumyl)propan-2-yl]oxy-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate

Systemtic Name: (2R,3S)-4-[(2R)-1-chloranyl-3-(propan-2-ylazaniumyl)propan-2-yl]oxy-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate Openeye Name: (2R,3S)-2,3-dibenzoyloxy-4-[(1R)-1-(chloromethyl)-2-(isopropylammonio)ethoxy]-4-oxo-butanoate CAS Name: (2R,3S)-2,3-dibenzoyloxy-4-[(2R)-1-chloro-3-(propan-2-ylammonio)propan-2-yl]oxy-4-oxobutanoate IUPAC Name: (2R,3S)-2,3-dibenzoyloxy-4-[(2R)-1-chloro-3-(propan-2-ylazaniumyl)propan-2-yl]oxy-4-oxobutanoate Traditional Name: (2R,3S)-2,3-dibenzoyloxy-4-[(1R)-1-(chloromethyl)-2-(isopropylammonio)ethoxy]-4-keto-butyrate Formula: C24H26ClNO8 MolecularWeight: 491.91814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(CCl)OC(=O)C(C(C(=O)[O-])OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[NH2+]C[C@H](CCl)OC(=O)[C@H]([C@H](C(=O)[O-])OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H26ClNO8/c1-15(2)26-14-18(13-25)32-24(31)20(34-23(30)17-11-7-4-8-12-17)19(21(27)28)33-22(29)16-9-5-3-6-10-16/h3-12,15,18-20,26H,13-14H2,1-2H3,(H,27,28)/t18-,19+,20-/m0/s1