(4R,5S,6R)-4-methyl-3-[(3S,5R)-5-[(2Z)-2-(oxidanylamino)-2-piperidin-1-ylcarbonylimino-ethyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6R)-4-methyl-3-[(3S,5R)-5-[(2Z)-2-(oxidanylamino)-2-piperidin-1-ylcarbonylimino-ethyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6R)-3-[(3S,5R)-5-[(2Z)-2-(hydroxyamino)-2-(piperidine-1-carbonylimino)ethyl]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,6R)-3-[[(3S,5R)-5-[(2Z)-2-(hydroxyamino)-2-[oxo(1-piperidinyl)methyl]iminoethyl]-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,6R)-3-[(3S,5R)-5-[(2Z)-2-(hydroxyamino)-2-(piperidine-1-carbonylimino)ethyl]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,6R)-3-[[(3S,5R)-5-[(2Z)-2-(hydroxyamino)-2-(piperidine-1-carbonylimino)ethyl]pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C22H33N5O6S MolecularWeight: 495.59232

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CC(=NC(=O)N4CCCCC4)NO)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/C(=N/C(=O)N4CCCCC4)/NO)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C22H33N5O6S/c1-11-17-16(12(2)28)20(29)27(17)18(21(30)31)19(11)34-14-8-13(23-10-14)9-15(25-33)24-22(32)26-6-4-3-5-7-26/h11-14,16-17,23,28,33H,3-10H2,1-2H3,(H,30,31)(H,24,25,32)/t11-,12-,13+,14+,16+,17-/m1/s1