(1-methylpiperidin-4-yl) 2-[[2-(2-methylpropyl)-3-(oxidanylcarbamoyl)hex-5-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: (1-methylpiperidin-4-yl) 2-[[2-(2-methylpropyl)-3-(oxidanylcarbamoyl)hex-5-enoyl]amino]-3-phenyl-propanoate Openeye Name: (1-methyl-4-piperidyl) 2-[[3-(hydroxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-[(hydroxyamino)-oxomethyl]-2-(2-methylpropyl)-1-oxohex-5-enyl]amino]-3-phenylpropanoic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 2-[[3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-(hydroxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino]-3-phenyl-propionic acid (1-methyl-4-piperidyl) ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)NO)C(=O)NC(CC1=CC=CC=C1)C(=O)OC2CCN(CC2)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)NO)C(=O)NC(CC1=CC=CC=C1)C(=O)OC2CCN(CC2)C

InChI

InChI=1S/C26H39N3O5/c1-5-9-21(25(31)28-33)22(16-18(2)3)24(30)27-23(17-19-10-7-6-8-11-19)26(32)34-20-12-14-29(4)15-13-20/h5-8,10-11,18,20-23,33H,1,9,12-17H2,2-4H3,(H,27,30)(H,28,31)