[(1R)-1-[oxidanyl-[(2S)-3-oxidanylidene-3-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(phenylmethyl)propyl]phosphoryl]-2-phenyl-ethyl]azanium bromide

Systemtic Name: [(1R)-1-[oxidanyl-[(2S)-3-oxidanylidene-3-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(phenylmethyl)propyl]phosphoryl]-2-phenyl-ethyl]azanium bromide Openeye Name: [(1R)-1-[[(2S)-2-benzyl-3-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-3-oxo-propyl]-hydroxy-phosphoryl]-2-phenyl-ethyl]ammonium bromide CAS Name: [(1R)-1-[hydroxy-[(2S)-3-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-oxo-2-(phenylmethyl)propyl]phosphoryl]-2-phenylethyl]ammonium bromide IUPAC Name: [(1R)-1-[[(2S)-2-benzyl-3-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl]-hydroxyphosphoryl]-2-phenylethyl]azanium bromide Traditional Name: [(1R)-1-[[(2S)-2-benzyl-3-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-3-keto-propyl]-hydroxy-phosphoryl]-2-phenyl-ethyl]ammonium bromide Formula: C21H28BrN2O5P MolecularWeight: 499.335181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CP(=O)(C(CC2=CC=CC=C2)[NH3+])O.[Br-]

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CP(=O)([C@H](CC2=CC=CC=C2)[NH3+])O.[Br-]

InChI

InChI=1S/C21H27N2O5P.BrH/c1-15(21(25)26)23-20(24)18(12-16-8-4-2-5-9-16)14-29(27,28)19(22)13-17-10-6-3-7-11-17;/h2-11,15,18-19H,12-14,22H2,1H3,(H,23,24)(H,25,26)(H,27,28);1H/t15-,18+,19+;/m0./s1