tert-butyl 2-[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-1,2-diazinane-1-carboxylate

Systemtic Name: tert-butyl 2-[3-[[4-azanyl-4-oxidanylidene-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-1,2-diazinane-1-carboxylate Openeye Name: tert-butyl 2-[3-[[4-amino-4-oxo-2-(2-quinolylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]hexahydropyridazine-1-carboxylate CAS Name: 2-[3-[[4-amino-1,4-dioxo-2-(2-quinolinylmethylamino)butyl]amino]-2-hydroxy-4-phenylbutyl]-1-diazinanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[4-amino-4-oxo-2-(quinolin-2-ylmethylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]diazinane-1-carboxylate Traditional Name: 2-[3-[[4-amino-4-keto-2-(2-quinolylmethylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]hexahydropyridazine-1-carboxylic acid tert-butyl ester Formula: C33H44N6O5 MolecularWeight: 604.73966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCN1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NCC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCN1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NCC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C33H44N6O5/c1-33(2,3)44-32(43)39-18-10-9-17-38(39)22-29(40)27(19-23-11-5-4-6-12-23)37-31(42)28(20-30(34)41)35-21-25-16-15-24-13-7-8-14-26(24)36-25/h4-8,11-16,27-29,35,40H,9-10,17-22H2,1-3H3,(H2,34,41)(H,37,42)