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

Systemtic Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-[(4-hydroxyphenyl)methyl]amino]-1-phenyl-butyl]-3-methyl-2-oxidanyl-butanamide Openeye Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-[(4-hydroxyphenyl)methyl]amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butanamide CAS Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-1-oxobutyl)amino]-[(4-hydroxyphenyl)methyl]amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide IUPAC Name: 2-acetamido-N-[4-[[(2-acetamido-3-methylbutanoyl)amino]-[(4-hydroxyphenyl)methyl]amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide Traditional Name: 2-acetamido-N-[4-[[(2-acetamido-3-methyl-butanoyl)amino]-(4-hydroxybenzyl)amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butyramide Formula: C31H45N5O6 MolecularWeight: 583.7189

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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)O)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)O)NC(=O)C

InChI

InChI=1S/C31H45N5O6/c1-20(2)28(32-22(5)37)29(40)35-36(19-24-14-16-26(39)17-15-24)18-10-13-27(25-11-8-7-9-12-25)33-30(41)31(42,21(3)4)34-23(6)38/h7-9,11-12,14-17,20-21,27-28,39,42H,10,13,18-19H2,1-6H3,(H,32,37)(H,33,41)(H,34,38)(H,35,40)