(2R,3R)-3-methyl-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]-2-propan-2-yl-pentanoate

Systemtic Name: (2R,3R)-3-methyl-5-oxidanylidene-5-[(1-phenylpyrazol-3-yl)amino]-2-propan-2-yl-pentanoate Openeye Name: (2R,3R)-2-isopropyl-3-methyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoate CAS Name: (2R,3R)-3-methyl-5-oxo-5-[(1-phenyl-3-pyrazolyl)amino]-2-propan-2-ylpentanoate IUPAC Name: (2R,3R)-3-methyl-5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propan-2-ylpentanoate Traditional Name: (2R,3R)-2-isopropyl-5-keto-3-methyl-5-[(1-phenylpyrazol-3-yl)amino]valerate Formula: C18H22N3O3- MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[C@H](CC(=O)NC1=NN(C=C1)C2=CC=CC=C2)[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-12(2)17(18(23)24)13(3)11-16(22)19-15-9-10-21(20-15)14-7-5-4-6-8-14/h4-10,12-13,17H,11H2,1-3H3,(H,23,24)(H,19,20,22)/p-1/t13-,17-/m1/s1