3-methyl-5-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pyridin-3-yl]indazole-1-carboxylic acid

Systemtic Name: 3-methyl-5-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pyridin-3-yl]indazole-1-carboxylic acid Openeye Name: 5-[5-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-pyridyl]-3-methyl-indazole-1-carboxylic acid CAS Name: 3-methyl-5-[5-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-pyridinyl]-1-indazolecarboxylic acid IUPAC Name: 3-methyl-5-[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pyridin-3-yl]indazole-1-carboxylic acid Traditional Name: 5-[5-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-pyridyl]-3-methyl-indazole-1-carboxylic acid Formula: C28H29N5O5 MolecularWeight: 515.56036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CN=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CN=C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C28H29N5O5/c1-17-22-14-19(10-11-24(22)33(32-17)27(36)37)20-13-21(16-29-15-20)30-25(34)23(12-18-8-6-5-7-9-18)31-26(35)38-28(2,3)4/h5-11,13-16,23H,12H2,1-4H3,(H,30,34)(H,31,35)(H,36,37)