dicyclohexylazanium; (2S)-2-[(2-nitrophenyl)sulfanylamino]propanoate

Systemtic Name: dicyclohexylazanium; (2S)-2-[(2-nitrophenyl)sulfanylamino]propanoate Openeye Name: dicyclohexylammonium; (2S)-2-[(2-nitrophenyl)sulfanylamino]propanoate CAS Name: dicyclohexylammonium; (2S)-2-[[(2-nitrophenyl)thio]amino]propanoate IUPAC Name: dicyclohexylazanium; (2S)-2-[(2-nitrophenyl)sulfanylamino]propanoate Traditional Name: dicyclohexylammonium; (2S)-2-[[(2-nitrophenyl)thio]amino]propionate Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C9H10N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(9(12)13)10-16-8-5-3-2-4-7(8)11(14)15/h11-13H,1-10H2;2-6,10H,1H3,(H,12,13)/t;6-/m.0/s1