ethyl (2R)-2-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-ethylsulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-ethylsulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-ethylsulfanyl-propanoate CAS Name: (2R)-2-[[(2S)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-(ethylthio)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-ethylsulfanylpropanoate Traditional Name: (2R)-2-[[(2S)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-(ethylthio)propionic acid ethyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CSCC)NC(=O)[C@H](CC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C19H27NO4S2/c1-4-24-19(23)17(13-25-5-2)20-18(22)16(12-26-14(3)21)11-15-9-7-6-8-10-15/h6-10,16-17H,4-5,11-13H2,1-3H3,(H,20,22)/t16-,17+/m1/s1