5-azanyl-2-(2,2-dimethylpropanoylamino)-N-[1-(4-hydroxyphenyl)-2-methanoyl-3-phenyl-propan-2-yl]-4-methyl-4-oxidanyl-N-(6-phenylhexanoyl)pentanamide

Systemtic Name: 5-azanyl-2-(2,2-dimethylpropanoylamino)-N-[1-(4-hydroxyphenyl)-2-methanoyl-3-phenyl-propan-2-yl]-4-methyl-4-oxidanyl-N-(6-phenylhexanoyl)pentanamide Openeye Name: 5-amino-N-[1-benzyl-1-formyl-2-(4-hydroxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)-4-hydroxy-4-methyl-N-(6-phenylhexanoyl)pentanamide CAS Name: 5-amino-2-[(2,2-dimethyl-1-oxopropyl)amino]-N-[2-formyl-1-(4-hydroxyphenyl)-3-phenylpropan-2-yl]-4-hydroxy-4-methyl-N-(1-oxo-6-phenylhexyl)pentanamide IUPAC Name: 5-amino-N-[2-benzyl-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-2-(2,2-dimethylpropanoylamino)-4-hydroxy-4-methyl-N-(6-phenylhexanoyl)pentanamide Traditional Name: 5-amino-N-[1-benzyl-1-formyl-2-(4-hydroxyphenyl)ethyl]-4-hydroxy-4-methyl-N-(6-phenylhexanoyl)-2-(pivaloylamino)valeramide Formula: C39H51N3O6 MolecularWeight: 657.83874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CC(C)(CN)O)C(=O)N(C(=O)CCCCCC1=CC=CC=C1)C(CC2=CC=CC=C2)(CC3=CC=C(C=C3)O)C=O

Isomeric SMILES

CC(C)(C)C(=O)NC(CC(C)(CN)O)C(=O)N(C(=O)CCCCCC1=CC=CC=C1)C(CC2=CC=CC=C2)(CC3=CC=C(C=C3)O)C=O

InChI

InChI=1S/C39H51N3O6/c1-37(2,3)36(47)41-33(26-38(4,48)27-40)35(46)42(34(45)19-13-7-10-16-29-14-8-5-9-15-29)39(28-43,24-30-17-11-6-12-18-30)25-31-20-22-32(44)23-21-31/h5-6,8-9,11-12,14-15,17-18,20-23,28,33,44,48H,7,10,13,16,19,24-27,40H2,1-4H3,(H,41,47)