3-[(4-ethylsulfanylphenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-[(4-ethylsulfanylphenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-[(4-ethylsulfanylphenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-[[4-(ethylthio)phenyl]methylthio]-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-[(4-ethylsulfanylphenyl)methylsulfanyl]-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-[[4-(ethylthio)benzyl]thio]-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C16H23NO3S3 MolecularWeight: 373.55372

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CS

Isomeric SMILES

CCSC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C(C)CS

InChI

InChI=1S/C16H23NO3S3/c1-3-23-13-6-4-12(5-7-13)9-22-10-14(16(19)20)17-15(18)11(2)8-21/h4-7,11,14,21H,3,8-10H2,1-2H3,(H,17,18)(H,19,20)