(3R)-4-[cyclopropyl-[4-[2-(6-methoxypyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-3-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-4-[cyclopropyl-[4-[2-(6-methoxypyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-3-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-[cyclopropyl-[4-[2-(6-methoxy-3-pyridyl)phenyl]thiazol-2-yl]amino]-4-oxo-3-(tetrahydropyran-4-ylmethyl)butanoic acid CAS Name: (3R)-4-[cyclopropyl-[4-[2-(6-methoxy-3-pyridinyl)phenyl]-2-thiazolyl]amino]-3-(4-oxanylmethyl)-4-oxobutanoic acid IUPAC Name: (3R)-4-[cyclopropyl-[4-[2-(6-methoxypyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-3-(oxan-4-ylmethyl)-4-oxobutanoic acid Traditional Name: (3R)-4-[cyclopropyl-[4-[2-(6-methoxy-3-pyridyl)phenyl]thiazol-2-yl]amino]-4-keto-3-(tetrahydropyran-4-ylmethyl)butyric acid Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=CC=CC=C2C3=CSC(=N3)N(C4CC4)C(=O)C(CC5CCOCC5)CC(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)C2=CC=CC=C2C3=CSC(=N3)N(C4CC4)C(=O)[C@H](CC5CCOCC5)CC(=O)O

InChI

InChI=1S/C28H31N3O5S/c1-35-25-9-6-19(16-29-25)22-4-2-3-5-23(22)24-17-37-28(30-24)31(21-7-8-21)27(34)20(15-26(32)33)14-18-10-12-36-13-11-18/h2-6,9,16-18,20-21H,7-8,10-15H2,1H3,(H,32,33)/t20-/m1/s1