(2S)-2-[(2-nitrophenyl)sulfanylamino]-4,4-bis(oxidanyl)-5-phenyl-pentanoic acid

Systemtic Name: (2S)-2-[(2-nitrophenyl)sulfanylamino]-4,4-bis(oxidanyl)-5-phenyl-pentanoic acid Openeye Name: (2S)-4,4-dihydroxy-2-[(2-nitrophenyl)sulfanylamino]-5-phenyl-pentanoic acid CAS Name: (2S)-4,4-dihydroxy-2-[[(2-nitrophenyl)thio]amino]-5-phenylpentanoic acid IUPAC Name: (2S)-4,4-dihydroxy-2-[(2-nitrophenyl)sulfanylamino]-5-phenylpentanoic acid Traditional Name: (2S)-4,4-dihydroxy-2-[[(2-nitrophenyl)thio]amino]-5-phenyl-valeric acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-])(O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C[C@@H](C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-])(O)O

InChI

InChI=1S/C17H18N2O6S/c20-16(21)13(11-17(22,23)10-12-6-2-1-3-7-12)18-26-15-9-5-4-8-14(15)19(24)25/h1-9,13,18,22-23H,10-11H2,(H,20,21)/t13-/m0/s1