1-cyclohexyloxycarbonyloxyethyl (4S)-3-[(2-azanylpyrimidin-4-yl)sulfanylmethyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 1-cyclohexyloxycarbonyloxyethyl (4S)-3-[(2-azanylpyrimidin-4-yl)sulfanylmethyl]-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 1-(cyclohexoxycarbonyloxy)ethyl (4S)-3-[(2-aminopyrimidin-4-yl)sulfanylmethyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4S)-3-[[(2-amino-4-pyrimidinyl)thio]methyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-[cyclohexyloxy(oxo)methoxy]ethyl ester IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl (4S)-3-[(2-aminopyrimidin-4-yl)sulfanylmethyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4S)-3-[[(2-aminopyrimidin-4-yl)thio]methyl]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 1-(cyclohexoxycarbonyloxy)ethyl ester Formula: C24H32N4O7S MolecularWeight: 520.59848

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1CSC3=NC(=NC=C3)N)C(=O)OC(C)OC(=O)OC4CCCCC4)C(C)O

Isomeric SMILES

C[C@@H]1C2C(C(=O)N2C(=C1CSC3=NC(=NC=C3)N)C(=O)OC(C)OC(=O)OC4CCCCC4)[C@@H](C)O

InChI

InChI=1S/C24H32N4O7S/c1-12-16(11-36-17-9-10-26-23(25)27-17)20(28-19(12)18(13(2)29)21(28)30)22(31)33-14(3)34-24(32)35-15-7-5-4-6-8-15/h9-10,12-15,18-19,29H,4-8,11H2,1-3H3,(H2,25,26,27)/t12-,13+,14?,18?,19?/m0/s1