(2S)-2-[[1-(2-azaniumylethanoyl)piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[1-(2-azaniumylethanoyl)piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[1-(2-azaniumylacetyl)piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-(2-ammonio-1-oxoethyl)-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[1-(2-azaniumylacetyl)piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(2-ammonioacetyl)isonipecotoyl]amino]-3-phenyl-propionate Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])C(=O)C[NH3+]

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])C(=O)C[NH3+]

InChI

InChI=1S/C17H23N3O4/c18-11-15(21)20-8-6-13(7-9-20)16(22)19-14(17(23)24)10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,18H2,(H,19,22)(H,23,24)/t14-/m0/s1