2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-(dipropylsulfamoyl)benzoic acid

Systemtic Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-(dipropylsulfamoyl)benzoic acid Openeye Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-(dipropylsulfamoyl)benzoic acid CAS Name: (2S,5R,6R)-6-[[(2R)-2-amino-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester; 4-(dipropylsulfamoyl)benzoic acid IUPAC Name: 2,2-dimethylpropanoyloxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 4-(dipropylsulfamoyl)benzoic acid Traditional Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloyloxymethyl ester; 4-(dipropylsulfamoyl)benzoic acid Formula: C35H48N4O10S2 MolecularWeight: 748.90642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)C(C)(C)C)C

InChI

InChI=1S/C22H29N3O6S.C13H19NO4S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12;1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26);5-8H,3-4,9-10H2,1-2H3,(H,15,16)/t13-,14-,15+,18-;/m1./s1