methyl 2-[[4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]piperidin-4-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]piperidine-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[[4-[[(5-hex-1-ynyl-3-pyridinyl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]piperidine-4-carbonyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[4-[(5-hex-1-ynylnicotinoyl)amino]isonipecotoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C22H30N4O5 MolecularWeight: 430.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2(CCNCC2)C(=O)NC(CO)C(=O)OC

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2(CCNCC2)C(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C22H30N4O5/c1-3-4-5-6-7-16-12-17(14-24-13-16)19(28)26-22(8-10-23-11-9-22)21(30)25-18(15-27)20(29)31-2/h12-14,18,23,27H,3-5,8-11,15H2,1-2H3,(H,25,30)(H,26,28)