(2R)-2-[2-azaniumylethanoyl(phenylcarbonyl)amino]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[2-azaniumylethanoyl(phenylcarbonyl)amino]-3-phenyl-propanoate Openeye Name: (2R)-2-[(2-azaniumylacetyl)-benzoyl-amino]-3-phenyl-propanoate CAS Name: (2R)-2-[(2-ammonio-1-oxoethyl)-benzoylamino]-3-phenylpropanoate IUPAC Name: (2R)-2-[(2-azaniumylacetyl)-benzoylamino]-3-phenylpropanoate Traditional Name: (2R)-2-[(2-ammonioacetyl)-benzoyl-amino]-3-phenyl-propionate Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])N(C(=O)C[NH3+])C(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])N(C(=O)C[NH3+])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4/c19-12-16(21)20(17(22)14-9-5-2-6-10-14)15(18(23)24)11-13-7-3-1-4-8-13/h1-10,15H,11-12,19H2,(H,23,24)/t15-/m1/s1