(4R,5S,6S)-3-[2-[(7aR)-3-methyl-1-oxidanylidene-3-propyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]ethylsulfanyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-3-[2-[(7aR)-3-methyl-1-oxidanylidene-3-propyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]ethylsulfanyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-3-[2-[(7aR)-3-methyl-1-oxo-3-propyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-3-[2-[(7aR)-3-methyl-1-oxo-3-propyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]ethylthio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-3-[2-[(7aR)-3-methyl-1-oxo-3-propyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-3-[2-[(7aR)-1-keto-3-methyl-3-propyl-5,6,7,7a-tetrahydropyrrol[1,2-c]imidazol-2-yl]ethylthio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(N2CCCC2C(=O)N1CCSC3=C(N4C(C3C)C(C4=O)C(C)O)C(=O)O)C

Isomeric SMILES

CCCC1(N2CCC[C@@H]2C(=O)N1CCSC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O)C

InChI

InChI=1S/C22H33N3O5S/c1-5-8-22(4)23-9-6-7-14(23)19(27)24(22)10-11-31-18-12(2)16-15(13(3)26)20(28)25(16)17(18)21(29)30/h12-16,26H,5-11H2,1-4H3,(H,29,30)/t12-,13-,14-,15-,16-,22?/m1/s1