ethyl (3R)-3-[2-[[(2S)-4-ethoxy-4-oxidanylidene-1-sulfanyl-butan-2-yl]amino]ethylamino]-4-sulfanyl-butanoate

Systemtic Name: ethyl (3R)-3-[2-[[(2S)-4-ethoxy-4-oxidanylidene-1-sulfanyl-butan-2-yl]amino]ethylamino]-4-sulfanyl-butanoate Openeye Name: ethyl (3R)-3-[2-[[(1S)-3-ethoxy-3-oxo-1-(sulfanylmethyl)propyl]amino]ethylamino]-4-sulfanyl-butanoate CAS Name: (3R)-3-[2-[[(2S)-4-ethoxy-1-mercapto-4-oxobutan-2-yl]amino]ethylamino]-4-mercaptobutanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[2-[[(2S)-4-ethoxy-4-oxo-1-sulfanylbutan-2-yl]amino]ethylamino]-4-sulfanylbutanoate Traditional Name: (3R)-3-[2-[[(1S)-3-ethoxy-3-keto-1-(mercaptomethyl)propyl]amino]ethylamino]-4-mercapto-butyric acid ethyl ester Formula: C14H28N2O4S2 MolecularWeight: 352.51312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CS)NCCNC(CC(=O)OCC)CS

Isomeric SMILES

CCOC(=O)C[C@H](CS)NCCN[C@@H](CC(=O)OCC)CS

InChI

InChI=1S/C14H28N2O4S2/c1-3-19-13(17)7-11(9-21)15-5-6-16-12(10-22)8-14(18)20-4-2/h11-12,15-16,21-22H,3-10H2,1-2H3/t11-,12+