methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]pentanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]pentanoate Openeye Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]pentanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]pentanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]valeric acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCCC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C18H25NO4S/c1-4-8-16(18(22)23-3)19-17(21)15(12-24-13(2)20)11-14-9-6-5-7-10-14/h5-7,9-10,15-16H,4,8,11-12H2,1-3H3,(H,19,21)