(2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidin-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methyl-butanoyl]piperidine-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-3-methyl-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-methylbutanoyl]piperidine-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-3-methyl-butanoyl]isonipecotoyl]amino]-2-phenyl-acetate Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-12(2)15(20)18(24)22-10-8-14(9-11-22)17(23)21-16(19(25)26)13-6-4-3-5-7-13/h3-7,12,14-16H,8-11,20H2,1-2H3,(H,21,23)(H,25,26)/t15-,16-/m0/s1