prop-2-enyl (4R,5S,6S)-3-[(3S,5R)-5-[1-(1H-imidazol-5-yl)ethyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl (4R,5S,6S)-3-[(3S,5R)-5-[1-(1H-imidazol-5-yl)ethyl]-1-prop-2-enoxycarbonyl-pyrrolidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl (4R,5S,6S)-3-[(3S,5R)-1-allyloxycarbonyl-5-[1-(1H-imidazol-5-yl)ethyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[(3S,5R)-5-[1-(1H-imidazol-5-yl)ethyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5R)-5-[1-(1H-imidazol-5-yl)ethyl]-1-prop-2-enoxycarbonylpyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-3-[[(3S,5R)-1-allyloxycarbonyl-5-[1-(1H-imidazol-5-yl)ethyl]pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester Formula: C26H34N4O6S MolecularWeight: 530.63636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)C(C)C4=CN=CN4)C(=O)OCC=C)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@@H](N(C3)C(=O)OCC=C)C(C)C4=CN=CN4)C(=O)OCC=C)[C@@H](C)O

InChI

InChI=1S/C26H34N4O6S/c1-6-8-35-25(33)22-23(15(4)21-20(16(5)31)24(32)30(21)22)37-17-10-19(14(3)18-11-27-13-28-18)29(12-17)26(34)36-9-7-2/h6-7,11,13-17,19-21,31H,1-2,8-10,12H2,3-5H3,(H,27,28)/t14?,15-,16-,17+,19-,20-,21-/m1/s1