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

Systemtic Name: (2S)-2-[3-(diethylazaniumyl)propylcarbamoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[3-(diethylammonio)propylcarbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(diethylammonio)propylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[3-(diethylazaniumyl)propylcarbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(diethylammonio)propylcarbamoylamino]-3-phenyl-propionate Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3/c1-3-20(4-2)12-8-11-18-17(23)19-15(16(21)22)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,21,22)(H2,18,19,23)/t15-/m0/s1