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

Systemtic Name: (2S)-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-3-phenyl-propionate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c21-16(22)15(13-14-5-2-1-3-6-14)19-17(23)18-7-4-8-20-9-11-24-12-10-20/h1-3,5-6,15H,4,7-13H2,(H,21,22)(H2,18,19,23)/t15-/m0/s1