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(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,5-diphenylpiperazine

(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,5-diphenylpiperazine

Systemtic Name:(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,5-diphenylpiperazine
Openeye Name:(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,5-diphenylpiperazine
CAS Name:(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,5-diphenylpiperazine
IUPAC Name:(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2,5-diphenylpiperazine
Traditional Name:2,5-diphenylpiperazine; (2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Formula: C48H54N6O8S2
MolecularWeight: 907.10776
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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3


Isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3


InChI

InChI=1S/2C16H18N2O4S.C16H18N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2/t2*11-,12+,14-;/m11./s1


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