(2S)-2-[3-(dimethylazaniumyl)propylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[3-(dimethylazaniumyl)propylcarbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[3-(dimethylammonio)propylcarbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(dimethylammonio)propylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[3-(dimethylazaniumyl)propylcarbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(dimethylammonio)propylcarbamoylamino]-3-phenyl-propionate Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C15H23N3O3/c1-18(2)10-6-9-16-15(21)17-13(14(19)20)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,19,20)(H2,16,17,21)/t13-/m0/s1