(4-nitrophenyl) 2-[4-[[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]methyl]phenyl]carbonylbenzoate

Systemtic Name: (4-nitrophenyl) 2-[4-[[6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]methyl]phenyl]carbonylbenzoate Openeye Name: (4-nitrophenyl) 2-[4-[[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]methyl]benzoyl]benzoate CAS Name: 2-[[4-[[[6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]methyl]phenyl]-oxomethyl]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[4-[[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]methyl]benzoyl]benzoate Traditional Name: 2-[4-[[6-[5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]methyl]benzoyl]benzoic acid (4-nitrophenyl) ester Formula: C37H41N5O8S MolecularWeight: 715.81514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4C(=O)OC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)N2

Isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCC3=CC=C(C=C3)C(=O)C4=CC=CC=C4C(=O)OC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)N2

InChI

InChI=1S/C37H41N5O8S/c43-32(12-6-5-10-31-34-30(23-51-31)40-37(47)41-34)38-21-7-1-2-11-33(44)39-22-24-13-15-25(16-14-24)35(45)28-8-3-4-9-29(28)36(46)50-27-19-17-26(18-20-27)42(48)49/h3-4,8-9,13-20,30-31,34H,1-2,5-7,10-12,21-23H2,(H,38,43)(H,39,44)(H2,40,41,47)/t30-,31-,34-/m0/s1