tert-butyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperidin-2-ylcarbonyl-pyrrolidin-2-yl]carbonyl-N-quinolin-3-yl-carbamate

Systemtic Name: tert-butyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-1-piperidin-2-ylcarbonyl-pyrrolidin-2-yl]carbonyl-N-quinolin-3-yl-carbamate Openeye Name: tert-butyl N-[4-(tert-butoxycarbonylamino)-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-(piperidine-2-carbonyl)pyrrolidine-2-carbonyl]-N-(3-quinolyl)carbamate CAS Name: N-[[4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-[oxo(2-piperidinyl)methyl]-2-pyrrolidinyl]-oxomethyl]-N-(3-quinolinyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2-hydroxy-4-phenylbutanoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(piperidine-2-carbonyl)pyrrolidine-2-carbonyl]-N-quinolin-3-ylcarbamate Traditional Name: N-[4-(tert-butoxycarbonylamino)-4-[(2-hydroxy-4-phenyl-butanoyl)amino]-1-pipecoloyl-prolyl]-N-(3-quinolyl)carbamic acid tert-butyl ester Formula: C40H52N6O8 MolecularWeight: 744.87628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CC(N(C1)C(=O)C2CCCCN2)C(=O)N(C3=CC4=CC=CC=C4N=C3)C(=O)OC(C)(C)C)NC(=O)C(CCC5=CC=CC=C5)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CC(N(C1)C(=O)C2CCCCN2)C(=O)N(C3=CC4=CC=CC=C4N=C3)C(=O)OC(C)(C)C)NC(=O)C(CCC5=CC=CC=C5)O

InChI

InChI=1S/C40H52N6O8/c1-38(2,3)53-36(51)44-40(43-33(48)32(47)20-19-26-14-8-7-9-15-26)23-31(45(25-40)34(49)30-18-12-13-21-41-30)35(50)46(37(52)54-39(4,5)6)28-22-27-16-10-11-17-29(27)42-24-28/h7-11,14-17,22,24,30-32,41,47H,12-13,18-21,23,25H2,1-6H3,(H,43,48)(H,44,51)