methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-piperidin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-piperidin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-4-[anilino(oxo)methyl]-1-[oxo(4-piperidinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-1-isonipecotoyl-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CCNCC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)C2CCNCC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H31N5O5/c1-15(21(30)32-2)24-19(28)18-14-26(22(31)25-17-6-4-3-5-7-17)12-13-27(18)20(29)16-8-10-23-11-9-16/h3-7,15-16,18,23H,8-14H2,1-2H3,(H,24,28)(H,25,31)/t15-,18-/m1/s1