(2R,5S)-1-(4-tert-butylphenyl)carbonyl-5-(2-methylpropyl)-3-(2-methylpropylcarbamoyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: (2R,5S)-1-(4-tert-butylphenyl)carbonyl-5-(2-methylpropyl)-3-(2-methylpropylcarbamoyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid Openeye Name: (2R,5S)-1-(4-tert-butylbenzoyl)-5-isobutyl-3-(isobutylcarbamoyl)-2-thiazol-2-yl-2H-pyrrole-5-carboxylic acid CAS Name: (2R,5S)-1-[(4-tert-butylphenyl)-oxomethyl]-5-(2-methylpropyl)-3-[(2-methylpropylamino)-oxomethyl]-2-(2-thiazolyl)-2H-pyrrole-5-carboxylic acid IUPAC Name: (2R,5S)-1-(4-tert-butylbenzoyl)-5-(2-methylpropyl)-3-(2-methylpropylcarbamoyl)-2-(1,3-thiazol-2-yl)-2H-pyrrole-5-carboxylic acid Traditional Name: (2S,5R)-1-(4-tert-butylbenzoyl)-2-isobutyl-4-(isobutylcarbamoyl)-5-thiazol-2-yl-3-pyrroline-2-carboxylic acid Formula: C28H37N3O4S MolecularWeight: 511.67608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C=C(C(N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C(=O)NCC(C)C)C(=O)O

Isomeric SMILES

CC(C)C[C@]1(C=C([C@@H](N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC=CS3)C(=O)NCC(C)C)C(=O)O

InChI

InChI=1S/C28H37N3O4S/c1-17(2)14-28(26(34)35)15-21(23(32)30-16-18(3)4)22(24-29-12-13-36-24)31(28)25(33)19-8-10-20(11-9-19)27(5,6)7/h8-13,15,17-18,22H,14,16H2,1-7H3,(H,30,32)(H,34,35)/t22-,28+/m1/s1