(2S)-5-[bis(azanyl)methylideneazaniumyl]-2-[(4-methoxyphenyl)sulfonylamino]pentanoate

Systemtic Name: (2S)-5-[bis(azanyl)methylideneazaniumyl]-2-[(4-methoxyphenyl)sulfonylamino]pentanoate Openeye Name: (2S)-5-(diaminomethyleneammonio)-2-[(4-methoxyphenyl)sulfonylamino]pentanoate CAS Name: (2S)-5-(diaminomethylideneammonio)-2-[(4-methoxyphenyl)sulfonylamino]pentanoate IUPAC Name: (2S)-5-(diaminomethylideneazaniumyl)-2-[(4-methoxyphenyl)sulfonylamino]pentanoate Traditional Name: (2S)-5-(diaminomethyleneammonio)-2-[(4-methoxyphenyl)sulfonylamino]valerate Formula: C13H20N4O5S MolecularWeight: 344.3867

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C13H20N4O5S/c1-22-9-4-6-10(7-5-9)23(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-/m0/s1