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

Systemtic Name: prop-2-enyl (4R)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[2-(prop-2-enoxycarbonylamino)ethylcarbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: allyl (4R)-3-[(3S,5S)-1-allyloxycarbonyl-5-[2-(allyloxycarbonylamino)ethylcarbamoyl]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)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S,5S)-5-[oxo-[2-[[oxo(prop-2-enoxy)methyl]amino]ethylamino]methyl]-1-[oxo(prop-2-enoxy)methyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-1-prop-2-enoxycarbonyl-5-[2-(prop-2-enoxycarbonylamino)ethylcarbamoyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R)-3-[[(3S,5S)-1-allyloxycarbonyl-5-[2-(allyloxycarbonylamino)ethylcarbamoyl]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: C28H38N4O9S MolecularWeight: 606.68772

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC=C)C(=O)NCCNC(=O)OCC=C)C(=O)OCC=C)C(C)O

Isomeric SMILES

C[C@@H]1C2C(C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC=C)C(=O)NCCNC(=O)OCC=C)C(=O)OCC=C)[C@@H](C)O

InChI

InChI=1S/C28H38N4O9S/c1-6-11-39-26(36)22-23(16(4)21-20(17(5)33)25(35)32(21)22)42-18-14-19(31(15-18)28(38)41-13-8-3)24(34)29-9-10-30-27(37)40-12-7-2/h6-8,16-21,33H,1-3,9-15H2,4-5H3,(H,29,34)(H,30,37)/t16-,17-,18+,19+,20?,21?/m1/s1