(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid

Systemtic Name: (2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]hexanoic acid CAS Name: (2S)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]hexanoic acid IUPAC Name: (2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]hexanoic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5/c1-4-5-11-15(18(23)24)20-17(22)16(13(2)3)21-19(25)26-12-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)/t15-,16-/m0/s1