ethyl (2S)-2-[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]ethanoylamino]propanoate

Systemtic Name: ethyl (2S)-2-[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]ethanoylamino]propanoate Openeye Name: ethyl (2S)-2-[[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoyl]amino]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[[(2R)-2-acetamido-3-(1-cyclohexa-2,4-dienylthio)-1-oxopropyl]amino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-[[(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanylpropanoyl]amino]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[[(2R)-2-acetamido-3-(cyclohexa-2,4-dien-1-ylthio)propanoyl]amino]acetyl]amino]propionic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)CNC(=O)C(CSC1CC=CC=C1)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CSC1CC=CC=C1)NC(=O)C

InChI

InChI=1S/C18H27N3O5S/c1-4-26-18(25)12(2)20-16(23)10-19-17(24)15(21-13(3)22)11-27-14-8-6-5-7-9-14/h5-8,12,14-15H,4,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t12-,14?,15-/m0/s1