4-azanyl-2-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]benzoic acid

Systemtic Name: 4-azanyl-2-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]benzoic acid Openeye Name: 4-amino-2-[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]benzoic acid CAS Name: 4-amino-2-[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]benzoic acid IUPAC Name: 4-amino-2-[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]benzoic acid Traditional Name: 4-amino-2-[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]benzoic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)C2=C(C=CC(=C2)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)C2=C(C=CC(=C2)N)C(=O)O

InChI

InChI=1S/C21H24N2O6/c1-21(2,3)29-20(28)23-17(10-12-4-7-14(24)8-5-12)18(25)16-11-13(22)6-9-15(16)19(26)27/h4-9,11,17,24H,10,22H2,1-3H3,(H,23,28)(H,26,27)