[[2-(methoxycarbonylamino)-3-methyl-butanoyl]-(1-phenylbutyl)amino] 3-pyridin-2-ylpropanoate

Systemtic Name: [[2-(methoxycarbonylamino)-3-methyl-butanoyl]-(1-phenylbutyl)amino] 3-pyridin-2-ylpropanoate Openeye Name: [[2-(methoxycarbonylamino)-3-methyl-butanoyl]-(1-phenylbutyl)amino] 3-(2-pyridyl)propanoate CAS Name: 3-(2-pyridinyl)propanoic acid [[2-(methoxycarbonylamino)-3-methyl-1-oxobutyl]-(1-phenylbutyl)amino] ester IUPAC Name: [[2-(methoxycarbonylamino)-3-methylbutanoyl]-(1-phenylbutyl)amino] 3-pyridin-2-ylpropanoate Traditional Name: 3-(2-pyridyl)propionic acid [[2-(carbomethoxyamino)-3-methyl-butanoyl]-(1-phenylbutyl)amino] ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)N(C(=O)C(C(C)C)NC(=O)OC)OC(=O)CCC2=CC=CC=N2

Isomeric SMILES

CCCC(C1=CC=CC=C1)N(C(=O)C(C(C)C)NC(=O)OC)OC(=O)CCC2=CC=CC=N2

InChI

InChI=1S/C25H33N3O5/c1-5-11-21(19-12-7-6-8-13-19)28(24(30)23(18(2)3)27-25(31)32-4)33-22(29)16-15-20-14-9-10-17-26-20/h6-10,12-14,17-18,21,23H,5,11,15-16H2,1-4H3,(H,27,31)