2-azanyl-3-methyl-butanoic acid; 2-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-3-methyl-butanoic acid; 2-[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-amino-3-methyl-butanoic acid; 2-[[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-amino-3-methylbutanoic acid; 2-[[[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-amino-3-methylbutanoic acid; 2-[[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-amino-3-methyl-butyric acid; 2-[[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]amino]-3-phenyl-propionic acid Formula: C31H39N3O7S MolecularWeight: 597.72226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)N.CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H28N2O5S.C5H11NO2/c1-26(2,3)20-11-15-22(16-12-20)34(32,33)28-21-13-9-19(10-14-21)24(29)27-23(25(30)31)17-18-7-5-4-6-8-18;1-3(2)4(6)5(7)8/h4-16,23,28H,17H2,1-3H3,(H,27,29)(H,30,31);3-4H,6H2,1-2H3,(H,7,8)