(2R)-5-[bis(azanyl)methylideneazaniumyl]-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (2R)-5-[bis(azanyl)methylideneazaniumyl]-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (2R)-5-(diaminomethyleneammonio)-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2R)-5-(diaminomethylideneammonio)-2-[(4-methylphenyl)sulfonylamino]pentanoate IUPAC Name: (2R)-5-(diaminomethylideneazaniumyl)-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2R)-5-(diaminomethyleneammonio)-2-(tosylamino)valerate Formula: C13H20N4O4S MolecularWeight: 328.3873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C13H20N4O4S/c1-9-4-6-10(7-5-9)22(20,21)17-11(12(18)19)3-2-8-16-13(14)15/h4-7,11,17H,2-3,8H2,1H3,(H,18,19)(H4,14,15,16)/t11-/m1/s1