prop-2-enyl (2S,4S)-2-[2-(morpholin-4-ylcarbonylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[2-(morpholin-4-ylcarbonylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[2-(morpholine-4-carbonylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[2-[[4-morpholinyl(oxo)methyl]amino]ethylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[2-(morpholine-4-carbonylamino)ethylcarbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[2-(morpholine-4-carbonylamino)ethylcarbamoyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C16H26N4O5S MolecularWeight: 386.46644

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1C(=O)NCCNC(=O)N2CCOCC2)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1C(=O)NCCNC(=O)N2CCOCC2)S

InChI

InChI=1S/C16H26N4O5S/c1-2-7-25-16(23)20-11-12(26)10-13(20)14(21)17-3-4-18-15(22)19-5-8-24-9-6-19/h2,12-13,26H,1,3-11H2,(H,17,21)(H,18,22)/t12-,13-/m0/s1