ethyl 2-[[2-methyl-2-[[2-(oxan-4-yl)-2-sulfanyl-ethanoyl]amino]propanoyl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[2-methyl-2-[[2-(oxan-4-yl)-2-sulfanyl-ethanoyl]amino]propanoyl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[2-methyl-2-[(2-sulfanyl-2-tetrahydropyran-4-yl-acetyl)amino]propanoyl]amino]-4-phenyl-butanoate CAS Name: 2-[[2-[[2-mercapto-2-(4-oxanyl)-1-oxoethyl]amino]-2-methyl-1-oxopropyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-methyl-2-[[2-(oxan-4-yl)-2-sulfanylacetyl]amino]propanoyl]amino]-4-phenylbutanoate Traditional Name: 2-[[2-[(2-mercapto-2-tetrahydropyran-4-yl-acetyl)amino]-2-methyl-propanoyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C2CCOCC2)S

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C2CCOCC2)S

InChI

InChI=1S/C23H34N2O5S/c1-4-30-21(27)18(11-10-16-8-6-5-7-9-16)24-22(28)23(2,3)25-20(26)19(31)17-12-14-29-15-13-17/h5-9,17-19,31H,4,10-15H2,1-3H3,(H,24,28)(H,25,26)