2-ethylbutanoyloxymethyl (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride

Systemtic Name: 2-ethylbutanoyloxymethyl (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride Openeye Name: 2-ethylbutanoyloxymethyl (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride CAS Name: (4R,5S,6S)-3-[[(3S,5S)-5-[dimethylamino(oxo)methyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-ethyl-1-oxobutoxy)methyl ester hydrochloride IUPAC Name: 2-ethylbutanoyloxymethyl (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate hydrochloride Traditional Name: (4R,5S,6S)-3-[[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-ethylbutanoyloxymethyl ester hydrochloride Formula: C24H38ClN3O7S MolecularWeight: 548.09242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OCOC(=O)C1=C(C(C2N1C(=O)C2C(C)O)C)SC3CC(NC3)C(=O)N(C)C.Cl

Isomeric SMILES

CCC(CC)C(=O)OCOC(=O)C1=C([C@@H]([C@H]2N1C(=O)[C@@H]2[C@@H](C)O)C)S[C@H]3C[C@H](NC3)C(=O)N(C)C.Cl

InChI

InChI=1S/C24H37N3O7S.ClH/c1-7-14(8-2)23(31)33-11-34-24(32)19-20(12(3)18-17(13(4)28)22(30)27(18)19)35-15-9-16(25-10-15)21(29)26(5)6;/h12-18,25,28H,7-11H2,1-6H3;1H/t12-,13-,15+,16+,17-,18-;/m1./s1