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

Systemtic Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(propan-2-ylcarbamoyl)piperazin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(isopropylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2R)-2-[[[(2S)-1-[(cyclohexylamino)-oxomethyl]-4-[oxo-(propan-2-ylamino)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)-4-(isopropylcarbamoyl)piperazine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C25H38N6O5 MolecularWeight: 502.60642

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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)NC3CCCCC3

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@@H](C1)C(=O)N[C@H](CC2=CN=CC=C2)C(=O)OC)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H38N6O5/c1-17(2)27-24(34)30-12-13-31(25(35)28-19-9-5-4-6-10-19)21(16-30)22(32)29-20(23(33)36-3)14-18-8-7-11-26-15-18/h7-8,11,15,17,19-21H,4-6,9-10,12-14,16H2,1-3H3,(H,27,34)(H,28,35)(H,29,32)/t20-,21+/m1/s1