dicyclohexylazanium; 4-methylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanoate

Systemtic Name: dicyclohexylazanium; 4-methylsulfanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanoate Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-methylsulfanyl-butanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylsulfanylbutanoate; dicyclohexylazanium Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-4-(methylthio)butyrate; dicyclohexylammonium Formula: C27H44N2O3S2 MolecularWeight: 508.77986

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)CS.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C(CC1=CC=CC=C1)CS.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C15H21NO3S2.C12H23N/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19);11-13H,1-10H2