prop-2-enyl (2S)-2-[[(2S,3R)-3-oxidanyl-2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: prop-2-enyl (2S)-2-[[(2S,3R)-3-oxidanyl-2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: allyl (2S)-2-[[(2S,3R)-3-hydroxy-2-(2,2,2-trichloroethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S,3R)-3-hydroxy-1-oxo-2-[[oxo(2,2,2-trichloroethoxy)methyl]amino]butyl]amino]-3-phenylpropanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-2-[[(2S,3R)-3-hydroxy-2-(2,2,2-trichloroethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S,3R)-3-hydroxy-2-(2,2,2-trichloroethoxycarbonylamino)butanoyl]amino]-3-phenyl-propionic acid allyl ester Formula: C19H23Cl3N2O6 MolecularWeight: 481.75472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC=C)NC(=O)OCC(Cl)(Cl)Cl)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC=C)NC(=O)OCC(Cl)(Cl)Cl)O

InChI

InChI=1S/C19H23Cl3N2O6/c1-3-9-29-17(27)14(10-13-7-5-4-6-8-13)23-16(26)15(12(2)25)24-18(28)30-11-19(20,21)22/h3-8,12,14-15,25H,1,9-11H2,2H3,(H,23,26)(H,24,28)/t12-,14+,15+/m1/s1