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

Systemtic Name: dicyclohexylazanium; (2S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]butanoate Openeye Name: dicyclohexylammonium; (2S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]butanoate CAS Name: dicyclohexylammonium; (2S)-3-methyl-2-[[(2-nitrophenyl)thio]amino]butanoate IUPAC Name: dicyclohexylazanium; (2S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]butanoate Traditional Name: dicyclohexylammonium; (2S)-3-methyl-2-[[(2-nitrophenyl)thio]amino]butyrate Formula: C23H37N3O4S MolecularWeight: 451.62258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C11H14N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)10(11(14)15)12-18-9-6-4-3-5-8(9)13(16)17/h11-13H,1-10H2;3-7,10,12H,1-2H3,(H,14,15)/t;10-/m.0/s1