6-[[[(2-methylpropan-2-yl)oxycarbonylamino]-[(5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)carbonylamino]methylidene]amino]hexanoic acid

Systemtic Name: 6-[[[(2-methylpropan-2-yl)oxycarbonylamino]-[(5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)carbonylamino]methylidene]amino]hexanoic acid Openeye Name: 6-[[[(5-benzyloxycarbonyl-1H-pyrrole-2-carbonyl)amino]-(tert-butoxycarbonylamino)methylene]amino]hexanoic acid CAS Name: 6-[[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[[oxo-(5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]amino]methylidene]amino]hexanoic acid IUPAC Name: 6-[[[(2-methylpropan-2-yl)oxycarbonylamino]-[(5-phenylmethoxycarbonyl-1H-pyrrole-2-carbonyl)amino]methylidene]amino]hexanoic acid Traditional Name: 6-[[(tert-butoxycarbonylamino)-[(5-carbobenzoxy-1H-pyrrole-2-carbonyl)amino]methylene]amino]hexanoic acid Formula: C25H32N4O7 MolecularWeight: 500.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCCCC(=O)O)NC(=O)C1=CC=C(N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCCCC(=O)O)NC(=O)C1=CC=C(N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H32N4O7/c1-25(2,3)36-24(34)29-23(26-15-9-5-8-12-20(30)31)28-21(32)18-13-14-19(27-18)22(33)35-16-17-10-6-4-7-11-17/h4,6-7,10-11,13-14,27H,5,8-9,12,15-16H2,1-3H3,(H,30,31)(H2,26,28,29,32,34)