dicyclohexylazanium; (2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoate

Systemtic Name: dicyclohexylazanium; (2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoate Openeye Name: dicyclohexylammonium; (2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoate CAS Name: dicyclohexylammonium; (2S,3S)-3-methyl-2-[[(2-nitrophenyl)thio]amino]pentanoate IUPAC Name: dicyclohexylazanium; (2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoate Traditional Name: dicyclohexylammonium; (2S,3S)-3-methyl-2-[[(2-nitrophenyl)thio]amino]valerate Formula: C24H39N3O4S MolecularWeight: 465.64916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NSC1=CC=CC=C1[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H16N2O4S.C12H23N/c1-3-8(2)11(12(15)16)13-19-10-7-5-4-6-9(10)14(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11,13H,3H2,1-2H3,(H,15,16);11-13H,1-10H2/t8-,11-;/m0./s1