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

Systemtic Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidin-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenyl-propanoyl]piperidine-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[1-[(2S)-2-ammonio-1-oxo-3-phenylpropyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[1-[(2S)-2-azaniumyl-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[1-[(2S)-2-ammonio-3-phenyl-propanoyl]isonipecotoyl]amino]-3-methyl-butyrate Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C20H29N3O4/c1-13(2)17(20(26)27)22-18(24)15-8-10-23(11-9-15)19(25)16(21)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12,21H2,1-2H3,(H,22,24)(H,26,27)/t16-,17-/m0/s1