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

Systemtic Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-[(4-phenylphenyl)methyl]amino]-1-phenyl-butyl]-3-methyl-2-oxidanyl-butanamide Openeye Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-[(4-phenylphenyl)methyl]amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butanamide CAS Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-1-oxobutyl)amino]-[(4-phenylphenyl)methyl]amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide IUPAC Name: 2-acetamido-N-[4-[[(2-acetamido-3-methylbutanoyl)amino]-[(4-phenylphenyl)methyl]amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide Traditional Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-(4-phenylbenzyl)amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butyramide Formula: C37H49N5O5 MolecularWeight: 643.81546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN(CCCC(C1=CC=CC=C1)NC(=O)C(C(C)C)(NC(=O)C)O)CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NN(CCCC(C1=CC=CC=C1)NC(=O)C(C(C)C)(NC(=O)C)O)CC2=CC=C(C=C2)C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C37H49N5O5/c1-25(2)34(38-27(5)43)35(45)41-42(24-29-19-21-31(22-20-29)30-14-9-7-10-15-30)23-13-18-33(32-16-11-8-12-17-32)39-36(46)37(47,26(3)4)40-28(6)44/h7-12,14-17,19-22,25-26,33-34,47H,13,18,23-24H2,1-6H3,(H,38,43)(H,39,46)(H,40,44)(H,41,45)