2-[4-[tert-butylcarbamoyl(naphthalen-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: 2-[4-[tert-butylcarbamoyl(naphthalen-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: 2-[1-benzyl-3-[tert-butylcarbamoyl(2-naphthylmethyl)amino]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: 2-[4-[[(tert-butylamino)-oxomethyl]-(2-naphthalenylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: 2-[4-[tert-butylcarbamoyl(naphthalen-2-ylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: 2-[1-benzyl-3-[tert-butylcarbamoyl(2-naphthylmethyl)amino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C40H44N6O5 MolecularWeight: 688.81456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC2=CC=CC=C2C=C1)CC(C(CC3=CC=CC=C3)C(CC(=O)N)(C(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC2=CC=CC=C2C=C1)CC(C(CC3=CC=CC=C3)C(CC(=O)N)(C(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C40H44N6O5/c1-39(2,3)45-38(51)46(24-27-17-18-28-13-7-8-15-30(28)21-27)25-34(47)31(22-26-11-5-4-6-12-26)40(37(42)50,23-35(41)48)44-36(49)33-20-19-29-14-9-10-16-32(29)43-33/h4-21,31,34,47H,22-25H2,1-3H3,(H2,41,48)(H2,42,50)(H,44,49)(H,45,51)