2-[3-chloranyl-2-methyl-6-oxidanylidene-5-[[(2R)-1-phenylpropan-2-yl]amino]pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-2-methyl-6-oxidanylidene-5-[[(2R)-1-phenylpropan-2-yl]amino]pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-2-methyl-5-[[(1R)-1-methyl-2-phenyl-ethyl]amino]-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-2-methyl-6-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-2-methyl-6-oxo-5-[[(2R)-1-phenylpropan-2-yl]amino]pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-methyl-3-[[(1R)-1-methyl-2-phenyl-ethyl]amino]pyrazin-1-yl]acetic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)O)NC(C)CC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)O)N[C@H](C)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3O3/c1-10(8-12-6-4-3-5-7-12)18-15-16(23)20(9-13(21)22)11(2)14(17)19-15/h3-7,10H,8-9H2,1-2H3,(H,18,19)(H,21,22)/t10-/m1/s1