methyl N-[1-[2-[3-[[3,3-dimethyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: methyl N-[1-[2-[3-[[3,3-dimethyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: methyl N-[1-[[[3-[[3,3-dimethyl-2-[3-[(2-methylthiazol-4-yl)methyl]-2-oxo-imidazolidin-1-yl]butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-[[4-(2-pyridyl)phenyl]methyl]amino]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[3-[[3,3-dimethyl-2-[3-[(2-methyl-4-thiazolyl)methyl]-2-oxo-1-imidazolidinyl]-1-oxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-[3-[[3,3-dimethyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl]butanoyl]amino]-2-hydroxy-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[[[2-hydroxy-3-[[2-[2-keto-3-[(2-methylthiazol-4-yl)methyl]imidazolidin-1-yl]-3,3-dimethyl-butanoyl]amino]-4-phenyl-butyl]-[4-(2-pyridyl)benzyl]amino]carbamoyl]-2-methyl-propyl]carbamic acid methyl ester Formula: C43H56N8O6S MolecularWeight: 813.01974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(C2=O)C(C(=O)NC(CC3=CC=CC=C3)C(CN(CC4=CC=C(C=C4)C5=CC=CC=N5)NC(=O)C(C(C)C)NC(=O)OC)O)C(C)(C)C

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(C2=O)C(C(=O)NC(CC3=CC=CC=C3)C(CN(CC4=CC=C(C=C4)C5=CC=CC=N5)NC(=O)C(C(C)C)NC(=O)OC)O)C(C)(C)C

InChI

InChI=1S/C43H56N8O6S/c1-28(2)37(47-41(55)57-7)39(53)48-50(24-31-16-18-32(19-17-31)34-15-11-12-20-44-34)26-36(52)35(23-30-13-9-8-10-14-30)46-40(54)38(43(4,5)6)51-22-21-49(42(51)56)25-33-27-58-29(3)45-33/h8-20,27-28,35-38,52H,21-26H2,1-7H3,(H,46,54)(H,47,55)(H,48,53)