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

Systemtic Name: methyl (2R)-2-[[(2S)-1-ethanoyl-4-(propan-2-ylcarbamoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-acetyl-4-(isopropylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2S)-1-acetyl-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-acetyl-4-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2S)-1-acetyl-4-(isopropylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C20H29N5O5 MolecularWeight: 419.47476

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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)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)C

InChI

InChI=1S/C20H29N5O5/c1-13(2)22-20(29)24-8-9-25(14(3)26)17(12-24)18(27)23-16(19(28)30-4)10-15-6-5-7-21-11-15/h5-7,11,13,16-17H,8-10,12H2,1-4H3,(H,22,29)(H,23,27)/t16-,17+/m1/s1