[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1SCC(=O)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1SCC(=O)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-13(22-19(26)14-7-3-2-4-8-14)20(27)28-11-18(25)23-15-9-5-6-10-16(15)29-12-17(21)24/h2-10,13H,11-12H2,1H3,(H2,21,24)(H,22,26)(H,23,25)/t13-/m0/s1