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

Systemtic Name: ethyl 3-[(3S)-4-cyclohexyl-2-oxidanyl-3-(3-phenylpropanoylamino)butyl]sulfanylpropanoate Openeye Name: ethyl 3-[(3S)-4-cyclohexyl-2-hydroxy-3-(3-phenylpropanoylamino)butyl]sulfanylpropanoate CAS Name: 3-[[(3S)-4-cyclohexyl-2-hydroxy-3-[(1-oxo-3-phenylpropyl)amino]butyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(3S)-4-cyclohexyl-2-hydroxy-3-(3-phenylpropanoylamino)butyl]sulfanylpropanoate Traditional Name: 3-[[(3S)-4-cyclohexyl-3-(hydrocinnamoylamino)-2-hydroxy-butyl]thio]propionic acid ethyl ester Formula: C24H37NO4S MolecularWeight: 435.61988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37NO4S/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/h3,5-6,9-10,20-22,26H,2,4,7-8,11-18H2,1H3,(H,25,27)/t21-,22?/m0/s1