methyl (2S)-2-[[(2S)-1,4-bis(pyridin-3-ylcarbonyl)piperazin-2-yl]carbonylamino]-3-cyclohexyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1,4-bis(pyridin-3-ylcarbonyl)piperazin-2-yl]carbonylamino]-3-cyclohexyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-1,4-bis(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-cyclohexyl-propanoate CAS Name: (2S)-2-[[[(2S)-1,4-bis[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1,4-bis(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]-3-cyclohexylpropanoate Traditional Name: (2S)-3-cyclohexyl-2-[[(2S)-1,4-dinicotinoylpiperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCCC1)NC(=O)C2CN(CCN2C(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]2CN(CCN2C(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H33N5O5/c1-37-27(36)22(15-19-7-3-2-4-8-19)30-24(33)23-18-31(25(34)20-9-5-11-28-16-20)13-14-32(23)26(35)21-10-6-12-29-17-21/h5-6,9-12,16-17,19,22-23H,2-4,7-8,13-15,18H2,1H3,(H,30,33)/t22-,23-/m0/s1