(4-methoxyphenyl)methoxycarbonyl (4R,5S,6S)-3-[(3S,5S)-5-[[(2-azanyl-2-oxidanylidene-ethyl)sulfonylamino]methyl]-1-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methoxycarbonyl (4R,5S,6S)-3-[(3S,5S)-5-[[(2-azanyl-2-oxidanylidene-ethyl)sulfonylamino]methyl]-1-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methoxycarbonyl (4R,5S,6S)-3-[(3S,5S)-5-[[(2-amino-2-oxo-ethyl)sulfonylamino]methyl]-1-[(4-methoxyphenyl)methoxycarbonyl]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)-3-[[(3S,5S)-5-[[(2-amino-2-oxoethyl)sulfonylamino]methyl]-1-[(4-methoxyphenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [(4-methoxyphenyl)methoxy-oxomethyl] ester IUPAC Name: (4-methoxyphenyl)methoxycarbonyl (4R,5S,6S)-3-[(3S,5S)-5-[[(2-amino-2-oxoethyl)sulfonylamino]methyl]-1-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-3-[[(3S,5S)-5-[[(2-amino-2-keto-ethyl)sulfonylamino]methyl]-1-p-anisyloxycarbonyl-pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid p-anisyloxycarbonyl ester Formula: C35H42N4O13S2 MolecularWeight: 790.85698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)OC)CNS(=O)(=O)CC(=O)N)C(=O)OC(=O)OCC5=CC=C(C=C5)OC)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)OCC4=CC=C(C=C4)OC)CNS(=O)(=O)CC(=O)N)C(=O)OC(=O)OCC5=CC=C(C=C5)OC)[C@@H](C)O

InChI

InChI=1S/C35H42N4O13S2/c1-19-29-28(20(2)40)32(42)39(29)30(33(43)52-35(45)51-17-22-7-11-25(49-4)12-8-22)31(19)53-26-13-23(14-37-54(46,47)18-27(36)41)38(15-26)34(44)50-16-21-5-9-24(48-3)10-6-21/h5-12,19-20,23,26,28-29,37,40H,13-18H2,1-4H3,(H2,36,41)/t19-,20-,23+,26+,28-,29-/m1/s1