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

Systemtic Name: N-[4-[tert-butylcarbamoyl(pyridin-4-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide Openeye Name: N-[1-benzyl-3-[tert-butylcarbamoyl(4-pyridylmethyl)amino]-2-hydroxy-propyl]-2-(2-quinolylcarbamoylamino)butanediamide CAS Name: N-[4-[[(tert-butylamino)-oxomethyl]-(pyridin-4-ylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo-(2-quinolinylamino)methyl]amino]butanediamide IUPAC Name: N-[4-[tert-butylcarbamoyl(pyridin-4-ylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylcarbamoylamino)butanediamide Traditional Name: N-[1-benzyl-3-[tert-butylcarbamoyl(4-pyridylmethyl)amino]-2-hydroxy-propyl]-2-(2-quinolylcarbamoylamino)succinamide Formula: C35H42N8O5 MolecularWeight: 654.75858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(CC1=CC=NC=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=NC=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/C35H42N8O5/c1-35(2,3)42-34(48)43(21-24-15-17-37-18-16-24)22-29(44)27(19-23-9-5-4-6-10-23)39-32(46)28(20-30(36)45)40-33(47)41-31-14-13-25-11-7-8-12-26(25)38-31/h4-18,27-29,44H,19-22H2,1-3H3,(H2,36,45)(H,39,46)(H,42,48)(H2,38,40,41,47)