(4-methoxyphenyl)methyl 6-[[(2S,4S)-1-[(4-methoxyphenyl)methoxycarbonyl]-4-[[(4R,5S,6S)-2-[(4-methoxyphenyl)methoxycarbonyloxycarbonyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidin-2-yl]methyl]-1,1-bis(oxidanylidene)-1,2,6-thiadiazinane-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 6-[[(2S,4S)-1-[(4-methoxyphenyl)methoxycarbonyl]-4-[[(4R,5S,6S)-2-[(4-methoxyphenyl)methoxycarbonyloxycarbonyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidin-2-yl]methyl]-1,1-bis(oxidanylidene)-1,2,6-thiadiazinane-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 6-[[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-2-[(4-methoxyphenyl)methoxycarbonyloxycarbonyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-1-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidin-2-yl]methyl]-1,1-dioxo-1,2,6-thiadiazinane-2-carboxylate CAS Name: 6-[[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-2-[[(4-methoxyphenyl)methoxy-oxomethoxy]-oxomethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-1-[(4-methoxyphenyl)methoxy-oxomethyl]-2-pyrrolidinyl]methyl]-1,1-dioxo-1,2,6-thiadiazinane-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 6-[[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-2-[(4-methoxyphenyl)methoxycarbonyloxycarbonyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-1-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidin-2-yl]methyl]-1,1-dioxo-1,2,6-thiadiazinane-2-carboxylate Traditional Name: 6-[[(2S,4S)-4-[[(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-2-p-anisyloxycarbonyloxycarbonyl-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-1-p-anisyloxycarbonyl-pyrrolidin-2-yl]methyl]-1,1-diketo-1,2,6-thiadiazinane-2-carboxylic acid p-anisyl ester Formula: C45H52N4O15S2 MolecularWeight: 953.04218

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)OC)CN5CCCN(S5(=O)=O)C(=O)OCC6=CC=C(C=C6)OC)C(=O)OC(=O)OCC7=CC=C(C=C7)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)CN5CCCN(S5(=O)=O)C(=O)OCC6=CC=C(C=C6)OC)C(=O)OC(=O)OCC7=CC=C(C=C7)OC)[C@@H](C)O

InChI

InChI=1S/C45H52N4O15S2/c1-27-38-37(28(2)50)41(51)49(38)39(42(52)64-45(55)63-26-31-11-17-35(60-5)18-12-31)40(27)65-36-21-32(47(23-36)43(53)61-24-29-7-13-33(58-3)14-8-29)22-46-19-6-20-48(66(46,56)57)44(54)62-25-30-9-15-34(59-4)16-10-30/h7-18,27-28,32,36-38,50H,6,19-26H2,1-5H3/t27-,28-,32+,36+,37-,38-/m1/s1