(2S)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]hexanoic acid Openeye Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]hexanoic acid Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O6/c1-2-3-9-14(17(24)25)21-16(23)11-19-15(22)10-20-18(26)27-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,22)(H,20,26)(H,21,23)(H,24,25)/t14-/m0/s1