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

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-1-oxopropyl]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumylpropanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-[(2S)-2-ammoniopropanoyl]isonipecotoyl]amino]-3-phenyl-propionate Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-])[NH3+]

InChI

InChI=1S/C18H25N3O4/c1-12(19)17(23)21-9-7-14(8-10-21)16(22)20-15(18(24)25)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,19H2,1H3,(H,20,22)(H,24,25)/t12-,15-/m0/s1