(4R,5S,6S)-3-[(3S,5S)-5-[(E)-2-(3-methoxy-1,2-oxazol-5-yl)ethenyl]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-[(E)-2-(3-methoxy-1,2-oxazol-5-yl)ethenyl]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)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(E)-2-(3-methoxyisoxazol-5-yl)vinyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[(3S,5S)-5-[(E)-2-(3-methoxy-5-isoxazolyl)ethenyl]-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(E)-2-(3-methoxy-1,2-oxazol-5-yl)ethenyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[[(3S,5S)-5-[(E)-2-(3-methoxyisoxazol-5-yl)vinyl]pyrrolidin-3-yl]thio]-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C=CC4=CC(=NO4)OC)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/C4=CC(=NO4)OC)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C20H25N3O6S/c1-9-16-15(10(2)24)19(25)23(16)17(20(26)27)18(9)30-13-6-11(21-8-13)4-5-12-7-14(28-3)22-29-12/h4-5,7,9-11,13,15-16,21,24H,6,8H2,1-3H3,(H,26,27)/b5-4+/t9-,10-,11-,13+,15-,16-/m1/s1