(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-azaniumyl-hexanoate

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-azaniumyl-hexanoate Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-azaniumyl-hexanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-6-ammoniohexanoate IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-6-azaniumylhexanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]-6-ammonio-hexanoate Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCC[NH3+])C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C17H25N3O4/c1-12(21)19-15(11-13-7-3-2-4-8-13)16(22)20-14(17(23)24)9-5-6-10-18/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H,19,21)(H,20,22)(H,23,24)/t14-,15-/m0/s1