(2R)-2-[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]methylamino]propanoic acid

Systemtic Name: (2R)-2-[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]methylamino]propanoic acid Openeye Name: (2R)-2-[[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]methylamino]propanoic acid CAS Name: (2R)-2-[[4-[(4-bromophenyl)thio]-3-nitrophenyl]methylamino]propanoic acid IUPAC Name: (2R)-2-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylamino]propanoic acid Traditional Name: (2R)-2-[[4-[(4-bromophenyl)thio]-3-nitro-benzyl]amino]propionic acid Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)O)NCC1=CC(=C(C=C1)SC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O4S/c1-10(16(20)21)18-9-11-2-7-15(14(8-11)19(22)23)24-13-5-3-12(17)4-6-13/h2-8,10,18H,9H2,1H3,(H,20,21)/t10-/m1/s1