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4-[bis(fluoranyl)methoxy]-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid

4-[bis(fluoranyl)methoxy]-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name:4-[bis(fluoranyl)methoxy]-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-butanoic acid
Openeye Name:3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-(difluoromethoxy)-4-oxo-butanoic acid
CAS Name:4-(difluoromethoxy)-3-[[2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid
IUPAC Name:4-(difluoromethoxy)-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxobutanoic acid
Traditional Name:3-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-(difluoromethoxy)-4-keto-butyric acid
Formula: C21H27F2N3O8
MolecularWeight: 487.451186
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)OC(F)F)NC(=O)OCC1=CC=CC=C1


Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)OC(F)F)NC(=O)OCC1=CC=CC=C1


InChI

InChI=1S/C21H27F2N3O8/c1-11(2)16(26-21(32)33-10-13-7-5-4-6-8-13)18(30)24-12(3)17(29)25-14(9-15(27)28)19(31)34-20(22)23/h4-8,11-12,14,16,20H,9-10H2,1-3H3,(H,24,30)(H,25,29)(H,26,32)(H,27,28)


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