methyl (2R)-2-[[(2S)-1-(2-methoxyethanoyl)-4-(propan-2-ylcarbamoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-(2-methoxyethanoyl)-4-(propan-2-ylcarbamoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-(isopropylcarbamoyl)-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2S)-1-(2-methoxy-1-oxoethyl)-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(2-methoxyacetyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2S)-4-(isopropylcarbamoyl)-1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C21H31N5O6 MolecularWeight: 449.50074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2=CN=CC=C2)C(=O)OC)C(=O)COC

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@@H](C1)C(=O)N[C@H](CC2=CN=CC=C2)C(=O)OC)C(=O)COC

InChI

InChI=1S/C21H31N5O6/c1-14(2)23-21(30)25-8-9-26(18(27)13-31-3)17(12-25)19(28)24-16(20(29)32-4)10-15-6-5-7-22-11-15/h5-7,11,14,16-17H,8-10,12-13H2,1-4H3,(H,23,30)(H,24,28)/t16-,17+/m1/s1