[(2R,3R,4S)-2,3,4-triacetyloxy-4-[(2S,3S)-2-[(4-methoxyphenyl)carbamoyl]-5-[methyl-(phenylmethyl)amino]-2-phenyl-4-phenyldiazenyl-3H-thiophen-3-yl]butyl] ethanoate

Systemtic Name: [(2R,3R,4S)-2,3,4-triacetyloxy-4-[(2S,3S)-2-[(4-methoxyphenyl)carbamoyl]-5-[methyl-(phenylmethyl)amino]-2-phenyl-4-phenyldiazenyl-3H-thiophen-3-yl]butyl] ethanoate Openeye Name: [(2R,3R,4S)-2,3,4-triacetoxy-4-[(2S,3S)-5-[benzyl(methyl)amino]-2-[(4-methoxyphenyl)carbamoyl]-2-phenyl-4-phenylazo-3H-thiophen-3-yl]butyl] acetate CAS Name: acetic acid [(2R,3R,4S)-2,3,4-triacetyloxy-4-[(2S,3S)-2-[(4-methoxyanilino)-oxomethyl]-5-[methyl-(phenylmethyl)amino]-2-phenyl-4-phenyldiazenyl-3H-thiophen-3-yl]butyl] ester IUPAC Name: [(2R,3R,4S)-2,3,4-triacetyloxy-4-[(2S,3S)-5-[benzyl(methyl)amino]-2-[(4-methoxyphenyl)carbamoyl]-2-phenyl-4-phenyldiazenyl-3H-thiophen-3-yl]butyl] acetate Traditional Name: acetic acid [(2R,3R,4S)-2,3,4-triacetoxy-4-[(2S,3S)-5-[benzyl(methyl)amino]-2-[(4-methoxyphenyl)carbamoyl]-2-phenyl-4-phenylazo-3H-thiophen-3-yl]butyl] ester Formula: C44H46N4O10S MolecularWeight: 822.92184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C(C1C(=C(SC1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)N(C)CC4=CC=CC=C4)N=NC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@@H]([C@H]([C@@H]1C(=C(S[C@@]1(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)OC)N(C)CC4=CC=CC=C4)N=NC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C44H46N4O10S/c1-28(49)55-27-37(56-29(2)50)40(57-30(3)51)41(58-31(4)52)38-39(47-46-35-20-14-9-15-21-35)42(48(5)26-32-16-10-7-11-17-32)59-44(38,33-18-12-8-13-19-33)43(53)45-34-22-24-36(54-6)25-23-34/h7-25,37-38,40-41H,26-27H2,1-6H3,(H,45,53)/t37-,38+,40+,41+,44-/m1/s1