(3S)-3-(2-chloranyl-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propanoic acid

Systemtic Name: (3S)-3-(2-chloranyl-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propanoic acid Openeye Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propanoic acid CAS Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-[(3-cyclohexyl-1-oxopropyl)amino]propanoic acid IUPAC Name: (3S)-3-(2-chloro-5-nitrophenyl)-3-(3-cyclohexylpropanoylamino)propanoic acid Traditional Name: (3S)-3-(2-chloro-5-nitro-phenyl)-3-(3-cyclohexylpropanoylamino)propionic acid Formula: C18H23ClN2O5 MolecularWeight: 382.83862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)CCC(=O)N[C@@H](CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H23ClN2O5/c19-15-8-7-13(21(25)26)10-14(15)16(11-18(23)24)20-17(22)9-6-12-4-2-1-3-5-12/h7-8,10,12,16H,1-6,9,11H2,(H,20,22)(H,23,24)/t16-/m0/s1