(diphenylmethyl) 7-[2-(3,4-dichlorophenyl)sulfanylethanoylamino]-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioylamino]-1,3-thiazol-5-yl]-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[2-(3,4-dichlorophenyl)sulfanylethanoylamino]-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioylamino]-1,3-thiazol-5-yl]-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-[2-[4-(tert-butoxycarbonylamino)butanethioylamino]thiazol-5-yl]-7-[[2-(3,4-dichlorophenyl)sulfanylacetyl]amino]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-[(3,4-dichlorophenyl)thio]-1-oxoethyl]amino]-3-[2-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-sulfanylidenebutyl]amino]-5-thiazolyl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[2-(3,4-dichlorophenyl)sulfanylacetyl]amino]-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanethioylamino]-1,3-thiazol-5-yl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[2-[4-(tert-butoxycarbonylamino)butanethioylamino]thiazol-5-yl]-7-[[2-[(3,4-dichlorophenyl)thio]acetyl]amino]-5,8-diketo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C40H39Cl2N5O7S4 MolecularWeight: 900.93296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=S)NC1=NC=C(S1)C2=C(N3C(C(C3=O)NC(=O)CSC4=CC(=C(C=C4)Cl)Cl)S(=O)C2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=S)NC1=NC=C(S1)C2=C(N3C(C(C3=O)NC(=O)CSC4=CC(=C(C=C4)Cl)Cl)S(=O)C2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C40H39Cl2N5O7S4/c1-40(2,3)54-39(51)43-18-10-15-31(55)46-38-44-20-29(57-38)26-22-58(52)36-32(45-30(48)21-56-25-16-17-27(41)28(42)19-25)35(49)47(36)33(26)37(50)53-34(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,16-17,19-20,32,34,36H,10,15,18,21-22H2,1-3H3,(H,43,51)(H,45,48)(H,44,46,55)