(2S)-2-azanylpropanoic acid; (phenylmethyl) 2-(2-azanylethanoyl)-3-methanoyl-benzoate

Systemtic Name: (2S)-2-azanylpropanoic acid; (phenylmethyl) 2-(2-azanylethanoyl)-3-methanoyl-benzoate Openeye Name: (2S)-2-aminopropanoic acid; benzyl 2-(2-aminoacetyl)-3-formyl-benzoate CAS Name: 2-(2-amino-1-oxoethyl)-3-formylbenzoic acid (phenylmethyl) ester; (2S)-2-aminopropanoic acid IUPAC Name: (2S)-2-aminopropanoic acid; benzyl 2-(2-aminoacetyl)-3-formylbenzoate Traditional Name: (2S)-2-aminopropionic acid; 3-formyl-2-glycyl-benzoic acid benzyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N.C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2C(=O)CN)C=O

Isomeric SMILES

C[C@@H](C(=O)O)N.C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2C(=O)CN)C=O

InChI

InChI=1S/C17H15NO4.C3H7NO2/c18-9-15(20)16-13(10-19)7-4-8-14(16)17(21)22-11-12-5-2-1-3-6-12;1-2(4)3(5)6/h1-8,10H,9,11,18H2;2H,4H2,1H3,(H,5,6)/t;2-/m.0/s1