O-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 2-methylpentanethioate

Systemtic Name: O-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino] 2-methylpentanethioate Openeye Name: O-[[(2S)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino] 2-methylpentanethioate CAS Name: 2-methylpentanethioic acid O-[[(2S)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: O-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino] 2-methylpentanethioate Traditional Name: 2-methylpentanethioic acid O-[[(2S)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino] ester Formula: C18H25NO3S2 MolecularWeight: 367.526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=S)ONC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCCC(C)C(=S)ONC(=O)[C@H](CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C18H25NO3S2/c1-4-8-13(2)18(23)22-19-17(21)16(12-24-14(3)20)11-15-9-6-5-7-10-15/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,19,21)/t13?,16-/m1/s1