(4R,5S,6S)-3-[(3S,5S)-5-[[azanyl(morpholin-4-yl)methylidene]carbamoyl]pyrrolidin-3-yl]sulfanyl-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-[(3S,5S)-5-[[azanyl(morpholin-4-yl)methylidene]carbamoyl]pyrrolidin-3-yl]sulfanyl-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-[(3S,5S)-5-[[amino(morpholino)methylene]carbamoyl]pyrrolidin-3-yl]sulfanyl-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-[[(3S,5S)-5-[[[amino(4-morpholinyl)methylidene]amino]-oxomethyl]-3-pyrrolidinyl]thio]-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-[(3S,5S)-5-[[amino(morpholin-4-yl)methylidene]carbamoyl]pyrrolidin-3-yl]sulfanyl-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-[[(3S,5S)-5-[[amino(morpholino)methylene]carbamoyl]pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H29N5O6S MolecularWeight: 467.53916

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N=C(N)N4CCOCC4)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N=C(N)N4CCOCC4)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C20H29N5O6S/c1-9-14-13(10(2)26)18(28)25(14)15(19(29)30)16(9)32-11-7-12(22-8-11)17(27)23-20(21)24-3-5-31-6-4-24/h9-14,22,26H,3-8H2,1-2H3,(H,29,30)(H2,21,23,27)/t9-,10-,11+,12+,13-,14-/m1/s1