N-[4-[(2,2-dimethylpropanoylamino)-propan-2-yl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide

Systemtic Name: N-[4-[(2,2-dimethylpropanoylamino)-propan-2-yl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Openeye Name: N-[1-benzyl-3-[(2,2-dimethylpropanoylamino)-isopropyl-amino]-2-hydroxy-propyl]-2-(2-quinolylmethylamino)butanediamide CAS Name: N-[4-[[(2,2-dimethyl-1-oxopropyl)amino]-propan-2-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-(2-quinolinylmethylamino)butanediamide IUPAC Name: N-[4-[(2,2-dimethylpropanoylamino)-propan-2-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[isopropyl-(pivaloylamino)amino]propyl]-2-(2-quinolylmethylamino)succinamide Formula: C32H44N6O4 MolecularWeight: 576.72956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NCC2=NC3=CC=CC=C3C=C2)O)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)N(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NCC2=NC3=CC=CC=C3C=C2)O)NC(=O)C(C)(C)C

InChI

InChI=1S/C32H44N6O4/c1-21(2)38(37-31(42)32(3,4)5)20-28(39)26(17-22-11-7-6-8-12-22)36-30(41)27(18-29(33)40)34-19-24-16-15-23-13-9-10-14-25(23)35-24/h6-16,21,26-28,34,39H,17-20H2,1-5H3,(H2,33,40)(H,36,41)(H,37,42)