(2R)-2-azaniumyl-5-[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]azaniumyl-pentanoate

Systemtic Name: (2R)-2-azaniumyl-5-[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]azaniumyl-pentanoate Openeye Name: (2R)-5-[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]ammonio-2-azaniumyl-pentanoate CAS Name: (2R)-5-[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]ammonio-2-ammoniopentanoate IUPAC Name: (2R)-5-[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]azaniumyl-2-azaniumylpentanoate Traditional Name: (2R)-5-[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]ammonio-2-ammonio-valerate Formula: C16H27N4O5S+ MolecularWeight: 387.47438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=[NH+]CCCC(C(=O)[O-])[NH3+])N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=[NH+]CCC[C@H](C(=O)[O-])[NH3+])N)C)C)OC

InChI

InChI=1S/C16H26N4O5S/c1-9-8-13(25-4)10(2)11(3)14(9)26(23,24)20-16(18)19-7-5-6-12(17)15(21)22/h8,12H,5-7,17H2,1-4H3,(H,21,22)(H3,18,19,20)/p+1/t12-/m1/s1