2-[2-[2,2-dimethylpropanoyloxymethoxy(4-phenylbutyl)phosphoryl]ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[2,2-dimethylpropanoyloxymethoxy(4-phenylbutyl)phosphoryl]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2,2-dimethylpropanoyloxymethoxy(4-phenylbutyl)phosphoryl]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(2,2-dimethyl-1-oxopropoxy)methoxy-(4-phenylbutyl)phosphoryl]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2,2-dimethylpropanoyloxymethoxy(4-phenylbutyl)phosphoryl]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[[2-[4-phenylbutyl(pivaloyloxymethoxy)phosphoryl]acetyl]amino]propionic acid Formula: C27H36NO7P MolecularWeight: 517.551001

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OCOP(=O)(CCCCC1=CC=CC=C1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H36NO7P/c1-27(2,3)26(32)34-20-35-36(33,17-11-10-14-21-12-6-4-7-13-21)19-24(29)28-23(25(30)31)18-22-15-8-5-9-16-22/h4-9,12-13,15-16,23H,10-11,14,17-20H2,1-3H3,(H,28,29)(H,30,31)