N-[4-[tert-butylcarbamoyl-(phenylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide

Systemtic Name: N-[4-[tert-butylcarbamoyl-(phenylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide Openeye Name: N-[1-benzyl-3-[benzyl(tert-butylcarbamoyl)amino]-2-hydroxy-propyl]-2-(2-quinolylcarbamoylamino)butanediamide CAS Name: N-[4-[[(tert-butylamino)-oxomethyl]-(phenylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo-(2-quinolinylamino)methyl]amino]butanediamide IUPAC Name: N-[4-[benzyl(tert-butylcarbamoyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide Traditional Name: N-[1-benzyl-3-[benzyl(tert-butylcarbamoyl)amino]-2-hydroxy-propyl]-2-(2-quinolylcarbamoylamino)succinamide Formula: C36H43N7O5 MolecularWeight: 653.77052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)NC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)N(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)NC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C36H43N7O5/c1-36(2,3)42-35(48)43(22-25-14-8-5-9-15-25)23-30(44)28(20-24-12-6-4-7-13-24)39-33(46)29(21-31(37)45)40-34(47)41-32-19-18-26-16-10-11-17-27(26)38-32/h4-19,28-30,44H,20-23H2,1-3H3,(H2,37,45)(H,39,46)(H,42,48)(H2,38,40,41,47)