tert-butyl (2S)-2-[[(2S)-2-[2,2-bis(chloranyl)ethanoyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]-3-(4-chlorophenyl)-2-cyano-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-2-[2,2-bis(chloranyl)ethanoyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]-3-(4-chlorophenyl)-2-cyano-propanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-[benzyl-(2,2-dichloroacetyl)amino]-3-methyl-butanoyl]amino]-3-(4-chlorophenyl)-2-cyano-propanoate CAS Name: (2S)-3-(4-chlorophenyl)-2-cyano-2-[[(2S)-2-[(2,2-dichloro-1-oxoethyl)-(phenylmethyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-2-[benzyl-(2,2-dichloroacetyl)amino]-3-methylbutanoyl]amino]-3-(4-chlorophenyl)-2-cyanopropanoate Traditional Name: (2S)-2-[[(2S)-2-[benzyl-(2,2-dichloroacetyl)amino]-3-methyl-butanoyl]amino]-3-(4-chlorophenyl)-2-cyano-propionic acid tert-butyl ester Formula: C28H32Cl3N3O4 MolecularWeight: 580.93038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)Cl)(C#N)C(=O)OC(C)(C)C)N(CC2=CC=CC=C2)C(=O)C(Cl)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@](CC1=CC=C(C=C1)Cl)(C#N)C(=O)OC(C)(C)C)N(CC2=CC=CC=C2)C(=O)C(Cl)Cl

InChI

InChI=1S/C28H32Cl3N3O4/c1-18(2)22(34(25(36)23(30)31)16-20-9-7-6-8-10-20)24(35)33-28(17-32,26(37)38-27(3,4)5)15-19-11-13-21(29)14-12-19/h6-14,18,22-23H,15-16H2,1-5H3,(H,33,35)/t22-,28-/m0/s1