(2S)-2-(2-dimethoxyphosphorylethanoylamino)-6-(pyren-1-ylsulfonylamino)hexanamide

Systemtic Name: (2S)-2-(2-dimethoxyphosphorylethanoylamino)-6-(pyren-1-ylsulfonylamino)hexanamide Openeye Name: (2S)-2-[(2-dimethoxyphosphorylacetyl)amino]-6-(pyren-1-ylsulfonylamino)hexanamide CAS Name: (2S)-2-[(2-dimethoxyphosphoryl-1-oxoethyl)amino]-6-(1-pyrenylsulfonylamino)hexanamide IUPAC Name: (2S)-2-[(2-dimethoxyphosphorylacetyl)amino]-6-(pyren-1-ylsulfonylamino)hexanamide Traditional Name: (2S)-2-[(2-dimethoxyphosphorylacetyl)amino]-6-(pyren-1-ylsulfonylamino)hexanamide Formula: C26H30N3O7PS MolecularWeight: 559.571061

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC(=O)NC(CCCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)N)OC

Isomeric SMILES

COP(=O)(CC(=O)N[C@@H](CCCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)N)OC

InChI

InChI=1S/C26H30N3O7PS/c1-35-37(32,36-2)16-23(30)29-21(26(27)31)8-3-4-15-28-38(33,34)22-14-12-19-10-9-17-6-5-7-18-11-13-20(22)25(19)24(17)18/h5-7,9-14,21,28H,3-4,8,15-16H2,1-2H3,(H2,27,31)(H,29,30)/t21-/m0/s1