methyl (2R)-2-[[(2S)-1-ethanoyl-4-(3-fluorophenyl)carbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-ethanoyl-4-(3-fluorophenyl)carbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-acetyl-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-acetyl-4-[(3-fluorophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-acetyl-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-acetyl-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C18H22FN3O5 MolecularWeight: 379.382783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C18H22FN3O5/c1-11(18(26)27-3)20-16(24)15-10-21(7-8-22(15)12(2)23)17(25)13-5-4-6-14(19)9-13/h4-6,9,11,15H,7-8,10H2,1-3H3,(H,20,24)/t11-,15+/m1/s1