(3R)-4-[cyclopropyl-[4-[2-(6-morpholin-4-ylpyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-3-(phenylmethyl)butanoic acid

Systemtic Name: (3R)-4-[cyclopropyl-[4-[2-(6-morpholin-4-ylpyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-3-(phenylmethyl)butanoic acid Openeye Name: (3R)-3-benzyl-4-[cyclopropyl-[4-[2-(6-morpholino-3-pyridyl)phenyl]thiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: (3R)-4-[cyclopropyl-[4-[2-[6-(4-morpholinyl)-3-pyridinyl]phenyl]-2-thiazolyl]amino]-4-oxo-3-(phenylmethyl)butanoic acid IUPAC Name: (3R)-3-benzyl-4-[cyclopropyl-[4-[2-(6-morpholin-4-ylpyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3R)-3-benzyl-4-[cyclopropyl-[4-[2-(6-morpholino-3-pyridyl)phenyl]thiazol-2-yl]amino]-4-keto-butyric acid Formula: C32H32N4O4S MolecularWeight: 568.68588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C2=NC(=CS2)C3=CC=CC=C3C4=CN=C(C=C4)N5CCOCC5)C(=O)C(CC6=CC=CC=C6)CC(=O)O

Isomeric SMILES

C1CC1N(C2=NC(=CS2)C3=CC=CC=C3C4=CN=C(C=C4)N5CCOCC5)C(=O)[C@H](CC6=CC=CC=C6)CC(=O)O

InChI

InChI=1S/C32H32N4O4S/c37-30(38)19-24(18-22-6-2-1-3-7-22)31(39)36(25-11-12-25)32-34-28(21-41-32)27-9-5-4-8-26(27)23-10-13-29(33-20-23)35-14-16-40-17-15-35/h1-10,13,20-21,24-25H,11-12,14-19H2,(H,37,38)/t24-/m1/s1