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

Systemtic Name: prop-2-enyl (2S,4S)-2-[2-[(prop-2-enoxycarbonylamino)methylideneamino]ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[2-[(allyloxycarbonylamino)methyleneamino]ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[oxo-[2-[[[oxo(prop-2-enoxy)methyl]amino]methylideneamino]ethylamino]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[2-[(prop-2-enoxycarbonylamino)methylideneamino]ethylcarbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[2-[(allyloxycarbonylamino)methyleneamino]ethylcarbamoyl]-4-mercapto-pyrrolidine-1-carboxylic acid allyl ester Formula: C16H24N4O5S MolecularWeight: 384.45056

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC=NCCNC(=O)C1CC(CN1C(=O)OCC=C)S

Isomeric SMILES

C=CCOC(=O)NC=NCCNC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC=C)S

InChI

InChI=1S/C16H24N4O5S/c1-3-7-24-15(22)19-11-17-5-6-18-14(21)13-9-12(26)10-20(13)16(23)25-8-4-2/h3-4,11-13,26H,1-2,5-10H2,(H,18,21)(H,17,19,22)/t12-,13-/m0/s1