2-[[1-[(2R)-1-[(2S,4S)-2-methoxycarbonyl-4-(3-methoxyphenoxy)pyrrolidin-1-yl]-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-[(2R)-1-[(2S,4S)-2-methoxycarbonyl-4-(3-methoxyphenoxy)pyrrolidin-1-yl]-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[(1R)-1-[(2S,4S)-2-methoxycarbonyl-4-(3-methoxyphenoxy)pyrrolidine-1-carbonyl]heptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[1-[(2R)-1-[(2S,4S)-2-methoxycarbonyl-4-(3-methoxyphenoxy)-1-pyrrolidinyl]-1-oxooctan-2-yl]-4-imidazolyl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-[(2R)-1-[(2S,4S)-2-methoxycarbonyl-4-(3-methoxyphenoxy)pyrrolidin-1-yl]-1-oxooctan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[(1R)-1-[(2S,4S)-2-carbomethoxy-4-(3-methoxyphenoxy)pyrrolidine-1-carbonyl]heptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C31H38N4O9S MolecularWeight: 642.71982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)N1CC(CC1C(=O)OC)OC2=CC(=CC=C2)OC)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

CCCCCC[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)OC2=CC(=CC=C2)OC)N3C=C(N=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C31H38N4O9S/c1-4-5-6-7-14-25(34-19-28(32-20-34)33-29(36)24-13-8-9-15-27(24)45(39,40)41)30(37)35-18-23(17-26(35)31(38)43-3)44-22-12-10-11-21(16-22)42-2/h8-13,15-16,19-20,23,25-26H,4-7,14,17-18H2,1-3H3,(H,33,36)(H,39,40,41)/t23-,25+,26-/m0/s1