(2R,4S,5R)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-4-pyrazin-2-yl-5-thiazol-2-yl-2-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid CAS Name: (2R,4S,5R)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(2-pyrazinyl)-5-(2-thiazolyl)-2-(4-thiazolylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxybenzoyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-4-pyrazin-2-yl-5-thiazol-2-yl-2-(thiazol-4-ylmethyl)proline Formula: C28H29N5O4S2 MolecularWeight: 563.69096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C(C(CC2(CC3=CSC=N3)C(=O)O)C4=NC=CN=C4)C5=NC=CS5)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2[C@H]([C@H](C[C@@]2(CC3=CSC=N3)C(=O)O)C4=NC=CN=C4)C5=NC=CS5)OC

InChI

InChI=1S/C28H29N5O4S2/c1-27(2,3)20-6-5-17(11-22(20)37-4)25(34)33-23(24-31-9-10-39-24)19(21-14-29-7-8-30-21)13-28(33,26(35)36)12-18-15-38-16-32-18/h5-11,14-16,19,23H,12-13H2,1-4H3,(H,35,36)/t19-,23-,28+/m1/s1