(2S)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-1-[(2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-1-[(2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoylamino]phenyl]carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-1-(1,3-benzoxazole-2-carbonyl)-2-methyl-propyl]-1-[(2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoylamino]benzoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxobutan-2-yl]-1-[(2S)-2-[[[4-[[[(4-chlorophenyl)sulfonylamino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-3-methyl-1-oxobutan-2-yl]-1-[(2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoylamino]benzoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-1-(1,3-benzoxazole-2-carbonyl)-2-methyl-propyl]-1-[(2S)-2-[[4-[(4-chlorophenyl)sulfonylcarbamoylamino]benzoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxamide Formula: C36H39ClN6O8S MolecularWeight: 751.24826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC2=CC=CC=C2O1)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)C4=CC=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)C1=NC2=CC=CC=C2O1)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)C4=CC=C(C=C4)NC(=O)NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C36H39ClN6O8S/c1-20(2)29(31(44)34-39-26-8-5-6-10-28(26)51-34)40-33(46)27-9-7-19-43(27)35(47)30(21(3)4)41-32(45)22-11-15-24(16-12-22)38-36(48)42-52(49,50)25-17-13-23(37)14-18-25/h5-6,8,10-18,20-21,27,29-30H,7,9,19H2,1-4H3,(H,40,46)(H,41,45)(H2,38,42,48)/t27-,29-,30-/m0/s1