cesium (2S)-5-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: cesium (2S)-5-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: cesium (2S)-5-guanidino-2-(p-tolylsulfonylamino)pentanoate CAS Name: cesium (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate IUPAC Name: cesium (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: cesium (2S)-5-guanidino-2-(tosylamino)valerate Formula: C13H19CsN4O4S MolecularWeight: 460.28481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)[O-].[Cs+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)[O-].[Cs+]

InChI

InChI=1S/C13H20N4O4S.Cs/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);/q;+1/p-1/t11-;/m0./s1