2-[[4-(methylamino)phenyl]carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[[4-(methylamino)phenyl]carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-[[4-(methylamino)benzoyl]amino]hexanoic acid CAS Name: 2-[[[4-(methylamino)phenyl]-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[[4-(methylamino)benzoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 6-(benzyloxycarbonylamino)-2-[[4-(methylamino)benzoyl]amino]hexanoic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CNC1=CC=C(C=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H27N3O5/c1-23-18-12-10-17(11-13-18)20(26)25-19(21(27)28)9-5-6-14-24-22(29)30-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19,23H,5-6,9,14-15H2,1H3,(H,24,29)(H,25,26)(H,27,28)