[(3S)-4-(2,2-dimethylpropanoyloxymethoxy)-3-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]-4-oxidanylidene-butyl]phosphonous acid

Systemtic Name: [(3S)-4-(2,2-dimethylpropanoyloxymethoxy)-3-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]-4-oxidanylidene-butyl]phosphonous acid Openeye Name: [(3S)-3-[[4-[benzyloxycarbonyl(methyl)amino]benzoyl]amino]-4-(2,2-dimethylpropanoyloxymethoxy)-4-oxo-butyl]phosphonous acid CAS Name: [(3S)-4-[(2,2-dimethyl-1-oxopropoxy)methoxy]-3-[[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]amino]-4-oxobutyl]phosphonous acid IUPAC Name: [(3S)-4-(2,2-dimethylpropanoyloxymethoxy)-3-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]-4-oxobutyl]phosphonous acid Traditional Name: [(3S)-3-[[4-[carbobenzoxy(methyl)amino]benzoyl]amino]-4-keto-4-(pivaloyloxymethoxy)butyl]phosphonous acid Formula: C26H33N2O9P MolecularWeight: 548.521981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C(CCP(O)O)NC(=O)C1=CC=C(C=C1)N(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)[C@H](CCP(O)O)NC(=O)C1=CC=C(C=C1)N(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H33N2O9P/c1-26(2,3)24(31)37-17-36-23(30)21(14-15-38(33)34)27-22(29)19-10-12-20(13-11-19)28(4)25(32)35-16-18-8-6-5-7-9-18/h5-13,21,33-34H,14-17H2,1-4H3,(H,27,29)/t21-/m0/s1