methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[3-[[3,3-dimethyl-2-[2-oxidanylidene-3-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]imidazolidin-1-yl]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[3-[[3,3-dimethyl-2-[2-oxidanylidene-3-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]imidazolidin-1-yl]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: methyl N-[1-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-hydroxy-3-[[2-[3-[[6-(1-hydroxy-1-methyl-ethyl)-2-pyridyl]methyl]-2-oxo-imidazolidin-1-yl]-3,3-dimethyl-butanoyl]amino]-4-phenyl-butyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]-2-oxo-1-imidazolidinyl]-3,3-dimethyl-1-oxobutyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-hydroxy-3-[[2-[3-[[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-hydroxy-3-[[2-[3-[[6-(1-hydroxy-1-methyl-ethyl)-2-pyridyl]methyl]-2-keto-imidazolidin-1-yl]-3,3-dimethyl-butanoyl]amino]-4-phenyl-butyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester Formula: C45H63N7O9 MolecularWeight: 846.02322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NN(CC1=CC2=C(C=C1)OCCO2)CC(C(CC3=CC=CC=C3)NC(=O)C(C(C)(C)C)N4CCN(C4=O)CC5=NC(=CC=C5)C(C)(C)O)O)NC(=O)OC

Isomeric SMILES

CC(C)(C)C(C(=O)NN(CC1=CC2=C(C=C1)OCCO2)CC(C(CC3=CC=CC=C3)NC(=O)C(C(C)(C)C)N4CCN(C4=O)CC5=NC(=CC=C5)C(C)(C)O)O)NC(=O)OC

InChI

InChI=1S/C45H63N7O9/c1-43(2,3)37(48-41(56)59-9)39(54)49-51(26-30-18-19-34-35(25-30)61-23-22-60-34)28-33(53)32(24-29-14-11-10-12-15-29)47-40(55)38(44(4,5)6)52-21-20-50(42(52)57)27-31-16-13-17-36(46-31)45(7,8)58/h10-19,25,32-33,37-38,53,58H,20-24,26-28H2,1-9H3,(H,47,55)(H,48,56)(H,49,54)