(4S)-5-oxidanylidene-4-[(2-phenylpyrimidin-4-yl)carbonylamino]-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid

Systemtic Name: (4S)-5-oxidanylidene-4-[(2-phenylpyrimidin-4-yl)carbonylamino]-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid Openeye Name: (4S)-5-oxo-4-[(2-phenylpyrimidine-4-carbonyl)amino]-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid CAS Name: (4S)-5-oxo-4-[[oxo-(2-phenyl-4-pyrimidinyl)methyl]amino]-5-[4-(1-oxopropoxy)-1-piperazinyl]pentanoic acid IUPAC Name: (4S)-5-oxo-4-[(2-phenylpyrimidine-4-carbonyl)amino]-5-(4-propanoyloxypiperazin-1-yl)pentanoic acid Traditional Name: (4S)-5-keto-4-[(2-phenylpyrimidine-4-carbonyl)amino]-5-(4-propionyloxypiperazino)valeric acid Formula: C23H27N5O6 MolecularWeight: 469.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC(=NC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)ON1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NC(=NC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5O6/c1-2-20(31)34-28-14-12-27(13-15-28)23(33)18(8-9-19(29)30)26-22(32)17-10-11-24-21(25-17)16-6-4-3-5-7-16/h3-7,10-11,18H,2,8-9,12-15H2,1H3,(H,26,32)(H,29,30)/t18-/m0/s1