ethyl 2-[[(2S)-4-methylsulfanyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2S)-4-methylsulfanyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[(2S)-4-methylsulfanyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoyl]amino]acetate CAS Name: 2-[[(2S)-4-(methylthio)-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-1-oxobutyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-4-methylsulfanyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoyl]amino]acetate Traditional Name: 2-[[(2S)-4-(methylthio)-2-[[2-(methylthio)nicotinoyl]amino]butanoyl]amino]acetic acid ethyl ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCSC)NC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CCOC(=O)CNC(=O)[C@H](CCSC)NC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C16H23N3O4S2/c1-4-23-13(20)10-18-15(22)12(7-9-24-2)19-14(21)11-6-5-8-17-16(11)25-3/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,18,22)(H,19,21)/t12-/m0/s1