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

Systemtic Name: methyl (2R)-2-[[(2S)-1,4-bis(propan-2-ylcarbamoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-1,4-bis(isopropylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2S)-1,4-bis[oxo-(propan-2-ylamino)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1,4-bis(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2S)-1,4-bis(isopropylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C22H34N6O5 MolecularWeight: 462.54256

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O5/c1-14(2)24-21(31)27-9-10-28(22(32)25-15(3)4)18(13-27)19(29)26-17(20(30)33-5)11-16-7-6-8-23-12-16/h6-8,12,14-15,17-18H,9-11,13H2,1-5H3,(H,24,31)(H,25,32)(H,26,29)/t17-,18+/m1/s1