(2S)-2-[[2-(diethylamino)-5-(3,5-dimethyl-1,2-thiazol-4-yl)pyrimidin-4-yl]amino]-3-[4-(4-methoxy-2-oxidanylidene-1-propyl-pyridin-3-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2-(diethylamino)-5-(3,5-dimethyl-1,2-thiazol-4-yl)pyrimidin-4-yl]amino]-3-[4-(4-methoxy-2-oxidanylidene-1-propyl-pyridin-3-yl)phenyl]propanoic acid Openeye Name: (2S)-2-[[2-(diethylamino)-5-(3,5-dimethylisothiazol-4-yl)pyrimidin-4-yl]amino]-3-[4-(4-methoxy-2-oxo-1-propyl-3-pyridyl)phenyl]propanoic acid CAS Name: (2S)-2-[[2-(diethylamino)-5-(3,5-dimethyl-4-isothiazolyl)-4-pyrimidinyl]amino]-3-[4-(4-methoxy-2-oxo-1-propyl-3-pyridinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[[2-(diethylamino)-5-(3,5-dimethyl-1,2-thiazol-4-yl)pyrimidin-4-yl]amino]-3-[4-(4-methoxy-2-oxo-1-propylpyridin-3-yl)phenyl]propanoic acid Traditional Name: (2S)-2-[[2-(diethylamino)-5-(3,5-dimethylisothiazol-4-yl)pyrimidin-4-yl]amino]-3-[4-(2-keto-4-methoxy-1-propyl-3-pyridyl)phenyl]propionic acid Formula: C31H38N6O4S MolecularWeight: 590.73622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C(C1=O)C2=CC=C(C=C2)CC(C(=O)O)NC3=NC(=NC=C3C4=C(SN=C4C)C)N(CC)CC)OC

Isomeric SMILES

CCCN1C=CC(=C(C1=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC3=NC(=NC=C3C4=C(SN=C4C)C)N(CC)CC)OC

InChI

InChI=1S/C31H38N6O4S/c1-7-15-37-16-14-25(41-6)27(29(37)38)22-12-10-21(11-13-22)17-24(30(39)40)33-28-23(26-19(4)35-42-20(26)5)18-32-31(34-28)36(8-2)9-3/h10-14,16,18,24H,7-9,15,17H2,1-6H3,(H,39,40)(H,32,33,34)/t24-/m0/s1