ethyl 2-[[(2R)-1-oxidanylidene-3,3-diphenyl-1-[(2S)-2-[[5-[(Z)-N'-[2,2,2-tris(chloranyl)ethoxycarbonyl]carbamimidoyl]thiophen-2-yl]methylcarbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]ethanoate

Systemtic Name: ethyl 2-[[(2R)-1-oxidanylidene-3,3-diphenyl-1-[(2S)-2-[[5-[(Z)-N'-[2,2,2-tris(chloranyl)ethoxycarbonyl]carbamimidoyl]thiophen-2-yl]methylcarbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]ethanoate Openeye Name: ethyl 2-[[(1R)-1-benzhydryl-2-oxo-2-[(2S)-2-[[5-[(Z)-N'-(2,2,2-trichloroethoxycarbonyl)carbamimidoyl]-2-thienyl]methylcarbamoyl]pyrrolidin-1-yl]ethyl]amino]acetate CAS Name: 2-[[(2R)-1-[(2S)-2-[[[5-[(Z)-amino-[oxo(2,2,2-trichloroethoxy)methyl]iminomethyl]-2-thiophenyl]methylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3,3-diphenylpropan-2-yl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-1-oxo-3,3-diphenyl-1-[(2S)-2-[[5-[(Z)-N'-(2,2,2-trichloroethoxycarbonyl)carbamimidoyl]thiophen-2-yl]methylcarbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]acetate Traditional Name: 2-[[(1R)-1-benzhydryl-2-keto-2-[(2S)-2-[[5-[(Z)-N'-(2,2,2-trichloroethoxycarbonyl)amidino]-2-thienyl]methylcarbamoyl]pyrrolidino]ethyl]amino]acetic acid ethyl ester Formula: C33H36Cl3N5O6S MolecularWeight: 737.09284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=NC(=O)OCC(Cl)(Cl)Cl)N

Isomeric SMILES

CCOC(=O)CN[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)NCC4=CC=C(S4)/C(=N/C(=O)OCC(Cl)(Cl)Cl)/N

InChI

InChI=1S/C33H36Cl3N5O6S/c1-2-46-26(42)19-38-28(27(21-10-5-3-6-11-21)22-12-7-4-8-13-22)31(44)41-17-9-14-24(41)30(43)39-18-23-15-16-25(48-23)29(37)40-32(45)47-20-33(34,35)36/h3-8,10-13,15-16,24,27-28,38H,2,9,14,17-20H2,1H3,(H,39,43)(H2,37,40,45)/t24-,28+/m0/s1