(2S)-2-[(2,4-dinitrophenyl)sulfanyl-(phenylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(2,4-dinitrophenyl)sulfanyl-(phenylmethyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[benzyl-(2,4-dinitrophenyl)sulfanyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2,4-dinitrophenyl)thio]-(phenylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[benzyl-(2,4-dinitrophenyl)sulfanylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl-[(2,4-dinitrophenyl)thio]amino]-3-methyl-butyric acid Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=CC=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-12(2)17(18(22)23)19(11-13-6-4-3-5-7-13)28-16-9-8-14(20(24)25)10-15(16)21(26)27/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m0/s1