tert-butyl N-[4-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-3-oxidanyl-1,5-diphenyl-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-3-oxidanyl-1,5-diphenyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-hydroxy-3-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-4-phenyl-butyl]carbamate CAS Name: N-[3-hydroxy-4-[[3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]-1,5-diphenylpentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-hydroxy-4-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[[2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]carbamic acid tert-butyl ester Formula: C36H47N3O5 MolecularWeight: 601.77548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C36H47N3O5/c1-25(2)32(39-31(40)22-21-26-15-9-6-10-16-26)34(42)37-29(23-27-17-11-7-12-18-27)33(41)30(24-28-19-13-8-14-20-28)38-35(43)44-36(3,4)5/h6-20,25,29-30,32-33,41H,21-24H2,1-5H3,(H,37,42)(H,38,43)(H,39,40)