prop-2-enyl (2S,4S)-2-[(E)-C-[(aminocarbonylamino)methyl]-N-methoxy-carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[(E)-C-[(aminocarbonylamino)methyl]-N-methoxy-carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[(E)-N-methoxy-C-(ureidomethyl)carbonimidoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[(1E)-2-(carbamoylamino)-1-methoxyiminoethyl]-4-mercapto-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[(E)-C-[(carbamoylamino)methyl]-N-methoxycarbonimidoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[(E)-N-methoxy-C-(ureidomethyl)carbonimidoyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(CNC(=O)N)C1CC(CN1C(=O)OCC=C)S

Isomeric SMILES

CO/N=C(\CNC(=O)N)/[C@@H]1C[C@@H](CN1C(=O)OCC=C)S

InChI

InChI=1S/C12H20N4O4S/c1-3-4-20-12(18)16-7-8(21)5-10(16)9(15-19-2)6-14-11(13)17/h3,8,10,21H,1,4-7H2,2H3,(H3,13,14,17)/b15-9+/t8-,10-/m0/s1