(2R)-2-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2R)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2R)-2-[[(2S)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2R)-2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2R)-2-[[(2S)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C17H23NO4S2 MolecularWeight: 369.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)SC[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CCSC)C(=O)O

InChI

InChI=1S/C17H23NO4S2/c1-12(19)24-11-14(10-13-6-4-3-5-7-13)16(20)18-15(17(21)22)8-9-23-2/h3-7,14-15H,8-11H2,1-2H3,(H,18,20)(H,21,22)/t14-,15-/m1/s1