ethyl (2S)-2-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethanoylamino]propanoate

Systemtic Name: ethyl (2S)-2-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethanoylamino]propanoate Openeye Name: ethyl (2S)-2-[[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[[(2R)-2-acetamido-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[[(2R)-2-acetamido-3-mercapto-propanoyl]amino]acetyl]amino]propionic acid ethyl ester Formula: C12H21N3O5S MolecularWeight: 319.37724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)CNC(=O)C(CS)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C12H21N3O5S/c1-4-20-12(19)7(2)14-10(17)5-13-11(18)9(6-21)15-8(3)16/h7,9,21H,4-6H2,1-3H3,(H,13,18)(H,14,17)(H,15,16)/t7-,9-/m0/s1