3-[[4-[[(1R)-1-cyclopropylethyl]amino]-3-nitro-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(1R)-1-cyclopropylethyl]amino]-3-nitro-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[(1R)-1-cyclopropylethyl]amino]-3-nitro-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(1R)-1-cyclopropylethyl]amino]-3-nitrophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[(1R)-1-cyclopropylethyl]amino]-3-nitrophenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[(1R)-1-cyclopropylethyl]amino]-3-nitro-phenyl]sulfonylamino]propionic acid Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1CC1)NC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6S/c1-9(10-2-3-10)16-12-5-4-11(8-13(12)17(20)21)24(22,23)15-7-6-14(18)19/h4-5,8-10,15-16H,2-3,6-7H2,1H3,(H,18,19)/t9-/m1/s1