3-[[6-(1,3-benzoxazol-5-ylcarbonylamino)-2-phenyl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-(1,3-benzoxazol-5-ylcarbonylamino)-2-phenyl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-(1,3-benzoxazole-5-carbonylamino)-2-phenyl-hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-[[1,3-benzoxazol-5-yl(oxo)methyl]amino]-1-oxo-2-phenylhexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-(1,3-benzoxazole-5-carbonylamino)-2-phenylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[6-(1,3-benzoxazole-5-carbonylamino)-2-phenyl-hexanoyl]amino]-4-keto-butyric acid Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCNC(=O)C2=CC3=C(C=C2)OC=N3)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)C(CCCCNC(=O)C2=CC3=C(C=C2)OC=N3)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C24H25N3O6/c28-14-18(13-22(29)30)27-24(32)19(16-6-2-1-3-7-16)8-4-5-11-25-23(31)17-9-10-21-20(12-17)26-15-33-21/h1-3,6-7,9-10,12,14-15,18-19H,4-5,8,11,13H2,(H,25,31)(H,27,32)(H,29,30)