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

Systemtic Name: N-[4-[(tert-butylcarbamoylamino)-propan-2-yl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Openeye Name: N-[1-benzyl-3-[(tert-butylcarbamoylamino)-isopropyl-amino]-2-hydroxy-propyl]-2-(2-quinolylmethylamino)butanediamide CAS Name: N-[4-[[[(tert-butylamino)-oxomethyl]amino]-propan-2-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-(2-quinolinylmethylamino)butanediamide IUPAC Name: N-[4-[(tert-butylcarbamoylamino)-propan-2-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylmethylamino)butanediamide Traditional Name: N-[1-benzyl-3-[(tert-butylcarbamoylamino)-isopropyl-amino]-2-hydroxy-propyl]-2-(2-quinolylmethylamino)succinamide Formula: C32H45N7O4 MolecularWeight: 591.7442

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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)NC(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)NC(C)(C)C

InChI

InChI=1S/C32H45N7O4/c1-21(2)39(38-31(43)37-32(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-30(42)27(18-29(33)41)34-19-24-16-15-23-13-9-10-14-25(23)35-24/h6-16,21,26-28,34,40H,17-20H2,1-5H3,(H2,33,41)(H,36,42)(H2,37,38,43)