(2S)-2-[[4-[(4-phenylbutanoylamino)methyl]cyclohexyl]carbonylamino]-3-phosphonooxy-propanoic acid

Systemtic Name: (2S)-2-[[4-[(4-phenylbutanoylamino)methyl]cyclohexyl]carbonylamino]-3-phosphonooxy-propanoic acid Openeye Name: (2S)-2-[[4-[(4-phenylbutanoylamino)methyl]cyclohexanecarbonyl]amino]-3-phosphonooxy-propanoic acid CAS Name: (2S)-2-[[oxo-[4-[[(1-oxo-4-phenylbutyl)amino]methyl]cyclohexyl]methyl]amino]-3-phosphonooxypropanoic acid IUPAC Name: (2S)-2-[[4-[(4-phenylbutanoylamino)methyl]cyclohexanecarbonyl]amino]-3-phosphonooxypropanoic acid Traditional Name: (2S)-2-[[4-[(4-phenylbutanoylamino)methyl]cyclohexanecarbonyl]amino]-3-phosphonooxy-propionic acid Formula: C21H31N2O8P MolecularWeight: 470.453201

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CCCC2=CC=CC=C2)C(=O)NC(COP(=O)(O)O)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CCCC2=CC=CC=C2)C(=O)N[C@@H](COP(=O)(O)O)C(=O)O

InChI

InChI=1S/C21H31N2O8P/c24-19(8-4-7-15-5-2-1-3-6-15)22-13-16-9-11-17(12-10-16)20(25)23-18(21(26)27)14-31-32(28,29)30/h1-3,5-6,16-18H,4,7-14H2,(H,22,24)(H,23,25)(H,26,27)(H2,28,29,30)/t16?,17?,18-/m0/s1