tert-butyl N-[(2S,3S)-1-cyclohexyl-3-[2,2,2-tris(chloranyl)ethanoylamino]pent-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-1-cyclohexyl-3-[2,2,2-tris(chloranyl)ethanoylamino]pent-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-1-(cyclohexylmethyl)-2-[(2,2,2-trichloroacetyl)amino]but-3-enyl]carbamate CAS Name: N-[(2S,3S)-1-cyclohexyl-3-[(2,2,2-trichloro-1-oxoethyl)amino]pent-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-1-cyclohexyl-3-[(2,2,2-trichloroacetyl)amino]pent-4-en-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-(cyclohexylmethyl)-2-[(2,2,2-trichloroacetyl)amino]but-3-enyl]carbamic acid tert-butyl ester Formula: C18H29Cl3N2O3 MolecularWeight: 427.79346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(C=C)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](C=C)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C18H29Cl3N2O3/c1-5-13(22-15(24)18(19,20)21)14(11-12-9-7-6-8-10-12)23-16(25)26-17(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H,22,24)(H,23,25)/t13-,14-/m0/s1