2-[[(4S)-5-ethanoylsulfanyl-2,4-dimethyl-3-oxidanylidene-pentyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(4S)-5-ethanoylsulfanyl-2,4-dimethyl-3-oxidanylidene-pentyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(4S)-5-acetylsulfanyl-2,4-dimethyl-3-oxo-pentyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(4S)-5-(acetylthio)-2,4-dimethyl-3-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(4S)-5-acetylsulfanyl-2,4-dimethyl-3-oxopentyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(4S)-5-(acetylthio)-3-keto-2,4-dimethyl-pentyl]amino]-3-phenyl-propionic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(CC1=CC=CC=C1)C(=O)O)C(=O)C(C)CSC(=O)C

Isomeric SMILES

C[C@H](CSC(=O)C)C(=O)C(C)CNC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H25NO4S/c1-12(17(21)13(2)11-24-14(3)20)10-19-16(18(22)23)9-15-7-5-4-6-8-15/h4-8,12-13,16,19H,9-11H2,1-3H3,(H,22,23)/t12?,13-,16?/m1/s1