2-[[(2S)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanoyl]amino]ethylazanium

Systemtic Name: 2-[[(2S)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylbutanoyl]amino]ethylazanium Openeye Name: 2-[[(2S)-2-(2-anilino-2-oxo-ethyl)sulfanylbutanoyl]amino]ethylammonium CAS Name: 2-[[(2S)-2-[(2-anilino-2-oxoethyl)thio]-1-oxobutyl]amino]ethylammonium IUPAC Name: 2-[[(2S)-2-(2-anilino-2-oxoethyl)sulfanylbutanoyl]amino]ethylazanium Traditional Name: 2-[[(2S)-2-[(2-anilino-2-keto-ethyl)thio]butanoyl]amino]ethylammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC[NH3+])SCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC[C@@H](C(=O)NCC[NH3+])SCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C14H21N3O2S/c1-2-12(14(19)16-9-8-15)20-10-13(18)17-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,16,19)(H,17,18)/p+1/t12-/m0/s1