[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-(1-phenylbutyl)amino] furan-2-carboxylate

Systemtic Name: [[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-(1-phenylbutyl)amino] furan-2-carboxylate Openeye Name: [[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-(1-phenylbutyl)amino] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-(1-phenylbutyl)amino] ester IUPAC Name: [[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-(1-phenylbutyl)amino] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-(1-phenylbutyl)amino] ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)N(C(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CO3

Isomeric SMILES

CCCC(C1=CC=CC=C1)N(C(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)OC(=O)C3=CC=CO3

InChI

InChI=1S/C28H32N2O6/c1-4-12-23(22-15-9-6-10-16-22)30(36-27(32)24-17-11-18-34-24)26(31)25(20(2)3)29-28(33)35-19-21-13-7-5-8-14-21/h5-11,13-18,20,23,25H,4,12,19H2,1-3H3,(H,29,33)