(2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenyl-propionate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H23N3O4/c20-15(21)14(12-13-4-2-1-3-5-13)18-16(22)17-6-7-19-8-10-23-11-9-19/h1-5,14H,6-12H2,(H,20,21)(H2,17,18,22)/t14-/m0/s1