tert-butyl (3S)-3-[[2-(aminocarbonylamino)-5-(4-methoxyphenyl)thiophen-3-yl]carbonylamino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[2-(aminocarbonylamino)-5-(4-methoxyphenyl)thiophen-3-yl]carbonylamino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[[5-(4-methoxyphenyl)-2-ureido-thiophene-3-carbonyl]amino]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[[[2-(carbamoylamino)-5-(4-methoxyphenyl)-3-thiophenyl]-oxomethyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carbonyl]amino]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[[5-(4-methoxyphenyl)-2-ureido-thiophene-3-carbonyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)NC(=O)C2=C(SC(=C2)C3=CC=C(C=C3)OC)NC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)NC(=O)C2=C(SC(=C2)C3=CC=C(C=C3)OC)NC(=O)N

InChI

InChI=1S/C22H28N4O5S/c1-22(2,3)31-21(29)26-10-9-14(12-26)24-18(27)16-11-17(32-19(16)25-20(23)28)13-5-7-15(30-4)8-6-13/h5-8,11,14H,9-10,12H2,1-4H3,(H,24,27)(H3,23,25,28)/t14-/m0/s1