2-[(1-diethoxyphosphoryl-3-phenyl-propyl)amino]-3-methyl-butanoic acid; methyl 3-azanylpropanoate

Systemtic Name: 2-[(1-diethoxyphosphoryl-3-phenyl-propyl)amino]-3-methyl-butanoic acid; methyl 3-azanylpropanoate Openeye Name: 2-[(1-diethoxyphosphoryl-3-phenyl-propyl)amino]-3-methyl-butanoic acid; methyl 3-aminopropanoate CAS Name: 3-aminopropanoic acid methyl ester; 2-[(1-diethoxyphosphoryl-3-phenylpropyl)amino]-3-methylbutanoic acid IUPAC Name: 2-[(1-diethoxyphosphoryl-3-phenylpropyl)amino]-3-methylbutanoic acid; methyl 3-aminopropanoate Traditional Name: 3-aminopropionic acid methyl ester; 2-[(1-diethoxyphosphoryl-3-phenyl-propyl)amino]-3-methyl-butyric acid Formula: C22H39N2O7P MolecularWeight: 474.528021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCC1=CC=CC=C1)NC(C(C)C)C(=O)O)OCC.COC(=O)CCN

Isomeric SMILES

CCOP(=O)(C(CCC1=CC=CC=C1)NC(C(C)C)C(=O)O)OCC.COC(=O)CCN

InChI

InChI=1S/C18H30NO5P.C4H9NO2/c1-5-23-25(22,24-6-2)16(19-17(14(3)4)18(20)21)13-12-15-10-8-7-9-11-15;1-7-4(6)2-3-5/h7-11,14,16-17,19H,5-6,12-13H2,1-4H3,(H,20,21);2-3,5H2,1H3