dicyclohexylazanium; (2R)-2-[(2-nitrophenyl)sulfanylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: dicyclohexylazanium; (2R)-2-[(2-nitrophenyl)sulfanylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: (2R)-3-benzylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; (2R)-2-[[(2-nitrophenyl)thio]amino]-3-(phenylmethylthio)propanoate IUPAC Name: (2R)-3-benzylsulfanyl-2-[(2-nitrophenyl)sulfanylamino]propanoate; dicyclohexylazanium Traditional Name: (2R)-3-(benzylthio)-2-[[(2-nitrophenyl)thio]amino]propionate; dicyclohexylammonium Formula: C28H39N3O4S2 MolecularWeight: 545.75696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C(C=C1)CSCC(C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S2.C12H23N/c19-16(20)13(11-23-10-12-6-2-1-3-7-12)17-24-15-9-5-4-8-14(15)18(21)22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,13,17H,10-11H2,(H,19,20);11-13H,1-10H2/t13-;/m0./s1