(2R)-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanoate

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanoate Openeye Name: (2R)-3-(1H-imidazol-5-yl)-2-[3-(p-tolylsulfonylcarbamoylamino)propanoylamino]propanoate CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-1-oxopropyl]amino]propanoate IUPAC Name: (2R)-3-(1H-imidazol-5-yl)-2-[3-[(4-methylphenyl)sulfonylcarbamoylamino]propanoylamino]propanoate Traditional Name: (2R)-3-(1H-imidazol-5-yl)-2-[3-(tosylcarbamoylamino)propanoylamino]propionate Formula: C17H20N5O6S- MolecularWeight: 422.4356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)N[C@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C17H21N5O6S/c1-11-2-4-13(5-3-11)29(27,28)22-17(26)19-7-6-15(23)21-14(16(24)25)8-12-9-18-10-20-12/h2-5,9-10,14H,6-8H2,1H3,(H,18,20)(H,21,23)(H,24,25)(H2,19,22,26)/p-1/t14-/m1/s1