tert-butyl 3-[[2-(3-methoxy-3-oxidanylidene-propyl)-3H-benzimidazol-5-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-[[2-(3-methoxy-3-oxidanylidene-propyl)-3H-benzimidazol-5-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-[[2-(3-methoxy-3-oxo-propyl)-3H-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(3-methoxy-3-oxopropyl)-3H-benzimidazol-5-yl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(3-methoxy-3-oxopropyl)-3H-benzimidazole-5-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[[2-(3-keto-3-methoxy-propyl)-3H-benzimidazole-5-carbonyl]amino]propionic acid tert-butyl ester Formula: C27H32N4O7 MolecularWeight: 524.56558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC2=C(C=C1)N=C(N2)CCC(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=CC2=C(C=C1)N=C(N2)CCC(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32N4O7/c1-27(2,3)38-25(34)21(31-26(35)37-16-17-8-6-5-7-9-17)15-28-24(33)18-10-11-19-20(14-18)30-22(29-19)12-13-23(32)36-4/h5-11,14,21H,12-13,15-16H2,1-4H3,(H,28,33)(H,29,30)(H,31,35)