(4S)-5-oxidanylidene-5-(4-propanoyloxypiperazin-1-yl)-4-(pyridin-2-ylcarbonylamino)pentanoic acid

Systemtic Name: (4S)-5-oxidanylidene-5-(4-propanoyloxypiperazin-1-yl)-4-(pyridin-2-ylcarbonylamino)pentanoic acid Openeye Name: (4S)-5-oxo-5-(4-propanoyloxypiperazin-1-yl)-4-(pyridine-2-carbonylamino)pentanoic acid CAS Name: (4S)-5-oxo-5-[4-(1-oxopropoxy)-1-piperazinyl]-4-[[oxo(2-pyridinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-oxo-5-(4-propanoyloxypiperazin-1-yl)-4-(pyridine-2-carbonylamino)pentanoic acid Traditional Name: (4S)-5-keto-4-picolinamido-5-(4-propionyloxypiperazino)valeric acid Formula: C18H24N4O6 MolecularWeight: 392.40636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC=CC=N2

Isomeric SMILES

CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CC=N2

InChI

InChI=1S/C18H24N4O6/c1-2-16(25)28-22-11-9-21(10-12-22)18(27)14(6-7-15(23)24)20-17(26)13-5-3-4-8-19-13/h3-5,8,14H,2,6-7,9-12H2,1H3,(H,20,26)(H,23,24)/t14-/m0/s1