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

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)amino]-3-[(4-phenylsulfanylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(2-methyl-3-sulfanyl-propanoyl)amino]-3-[(4-phenylsulfanylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(3-mercapto-2-methyl-1-oxopropyl)amino]-3-[[4-(phenylthio)phenyl]methylthio]propanoic acid IUPAC Name: 2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-[(4-phenylsulfanylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3-mercapto-2-methyl-propanoyl)amino]-3-[[4-(phenylthio)benzyl]thio]propionic acid Formula: C20H23NO3S3 MolecularWeight: 421.59652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NC(CSCC1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CS)C(=O)NC(CSCC1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO3S3/c1-14(11-25)19(22)21-18(20(23)24)13-26-12-15-7-9-17(10-8-15)27-16-5-3-2-4-6-16/h2-10,14,18,25H,11-13H2,1H3,(H,21,22)(H,23,24)