ethyl 3-[(3S)-4-cyclohexyl-2-oxidanylidene-3-(3-phenylpropanoylamino)butyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[(3S)-4-cyclohexyl-2-oxidanylidene-3-(3-phenylpropanoylamino)butyl]sulfanylpropanoate Openeye Name: ethyl 3-[(3S)-4-cyclohexyl-2-oxo-3-(3-phenylpropanoylamino)butyl]sulfanylpropanoate CAS Name: 3-[[(3S)-4-cyclohexyl-2-oxo-3-[(1-oxo-3-phenylpropyl)amino]butyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3S)-4-cyclohexyl-2-oxo-3-(3-phenylpropanoylamino)butyl]sulfanylpropanoate Traditional Name: 3-[[(3S)-4-cyclohexyl-3-(hydrocinnamoylamino)-2-keto-butyl]thio]propionic acid ethyl ester Formula: C24H35NO4S MolecularWeight: 433.604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSCC(=O)C(CC1CCCCC1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCSCC(=O)[C@H](CC1CCCCC1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C24H35NO4S/c1-2-29-24(28)15-16-30-18-22(26)21(17-20-11-7-4-8-12-20)25-23(27)14-13-19-9-5-3-6-10-19/h3,5-6,9-10,20-21H,2,4,7-8,11-18H2,1H3,(H,25,27)/t21-/m0/s1