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

Systemtic Name: N-[4-[azanyl(propan-2-yl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Openeye Name: N-[3-[amino(isopropyl)amino]-1-benzyl-2-hydroxy-propyl]-2-(2-quinolylmethylamino)butanediamide CAS Name: N-[4-[amino(propan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(2-quinolinylmethylamino)butanediamide IUPAC Name: N-[4-[amino(propan-2-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Traditional Name: N-[3-[amino(isopropyl)amino]-1-benzyl-2-hydroxy-propyl]-2-(2-quinolylmethylamino)succinamide Formula: C27H36N6O3 MolecularWeight: 492.61314

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)N

Isomeric SMILES

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

InChI

InChI=1S/C27H36N6O3/c1-18(2)33(29)17-25(34)23(14-19-8-4-3-5-9-19)32-27(36)24(15-26(28)35)30-16-21-13-12-20-10-6-7-11-22(20)31-21/h3-13,18,23-25,30,34H,14-17,29H2,1-2H3,(H2,28,35)(H,32,36)