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

Systemtic Name: methyl (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-morpholin-4-ium-4-ylethylcarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C17H25N3O4/c1-23-16(21)15(13-14-5-3-2-4-6-14)19-17(22)18-7-8-20-9-11-24-12-10-20/h2-6,15H,7-13H2,1H3,(H2,18,19,22)/p+1/t15-/m0/s1