2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-[[4-(2-methylpropoxy)phenyl]methyl]amino]-2-oxidanyl-1-phenyl-butyl]-3-methyl-butanamide

Systemtic Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-[[4-(2-methylpropoxy)phenyl]methyl]amino]-2-oxidanyl-1-phenyl-butyl]-3-methyl-butanamide Openeye Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-[(4-isobutoxyphenyl)methyl]amino]-2-hydroxy-1-phenyl-butyl]-3-methyl-butanamide CAS Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-1-oxobutyl)amino]-[[4-(2-methylpropoxy)phenyl]methyl]amino]-2-hydroxy-1-phenylbutyl]-3-methylbutanamide IUPAC Name: 2-acetamido-N-[4-[[(2-acetamido-3-methylbutanoyl)amino]-[[4-(2-methylpropoxy)phenyl]methyl]amino]-2-hydroxy-1-phenylbutyl]-3-methylbutanamide Traditional Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-(4-isobutoxybenzyl)amino]-2-hydroxy-1-phenyl-butyl]-3-methyl-butyramide Formula: C35H53N5O6 MolecularWeight: 639.82522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)CN(CCC(C(C2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C)O)NC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)CN(CCC(C(C2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C)O)NC(=O)C(C(C)C)NC(=O)C

InChI

InChI=1S/C35H53N5O6/c1-22(2)21-46-29-16-14-27(15-17-29)20-40(39-35(45)32(24(5)6)37-26(8)42)19-18-30(43)33(28-12-10-9-11-13-28)38-34(44)31(23(3)4)36-25(7)41/h9-17,22-24,30-33,43H,18-21H2,1-8H3,(H,36,41)(H,37,42)(H,38,44)(H,39,45)