tert-butyl (2S,3R)-3-(4-chloranylbutanoylamino)-2-ethyl-hexanoate

Systemtic Name: tert-butyl (2S,3R)-3-(4-chloranylbutanoylamino)-2-ethyl-hexanoate Openeye Name: tert-butyl (2S,3R)-3-(4-chlorobutanoylamino)-2-ethyl-hexanoate CAS Name: (2S,3R)-3-[(4-chloro-1-oxobutyl)amino]-2-ethylhexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-(4-chlorobutanoylamino)-2-ethylhexanoate Traditional Name: (2S,3R)-3-(4-chlorobutanoylamino)-2-ethyl-hexanoic acid tert-butyl ester Formula: C16H30ClNO3 MolecularWeight: 319.8673

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(=O)OC(C)(C)C)NC(=O)CCCCl

Isomeric SMILES

CCC[C@H]([C@H](CC)C(=O)OC(C)(C)C)NC(=O)CCCCl

InChI

InChI=1S/C16H30ClNO3/c1-6-9-13(18-14(19)10-8-11-17)12(7-2)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,18,19)/t12-,13+/m0/s1