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

Systemtic Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-4-pyrazin-2-yl-2-(2-pyridylmethyl)-5-thiazol-2-yl-pyrrolidine-2-carboxylic acid CAS Name: (2R,4S,5R)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(2-pyrazinyl)-2-(2-pyridinylmethyl)-5-(2-thiazolyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxybenzoyl)-4-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: (2R,4S,5R)-1-(4-tert-butyl-3-methoxy-benzoyl)-4-pyrazin-2-yl-2-(2-pyridylmethyl)-5-thiazol-2-yl-proline Formula: C30H31N5O4S MolecularWeight: 557.66324

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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=CC=CC=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=CC=CC=N3)C(=O)O)C4=NC=CN=C4)C5=NC=CS5)OC

InChI

InChI=1S/C30H31N5O4S/c1-29(2,3)22-9-8-19(15-24(22)39-4)27(36)35-25(26-34-13-14-40-26)21(23-18-31-11-12-33-23)17-30(35,28(37)38)16-20-7-5-6-10-32-20/h5-15,18,21,25H,16-17H2,1-4H3,(H,37,38)/t21-,25-,30+/m1/s1