3-(1H-indol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-phenyl-2-propanoyl-piperidine-4-carboxylic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-phenyl-2-propanoyl-piperidine-4-carboxylic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-(1H-indol-3-yl)-1-phenyl-2-propanoyl-piperidine-4-carboxylic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-(1-oxopropyl)-1-phenyl-4-piperidinecarboxylic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-phenyl-2-propanoylpiperidine-4-carboxylic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]-3-(1H-indol-3-yl)-1-phenyl-2-propionyl-isonipecotic acid Formula: C32H40N4O6 MolecularWeight: 576.6832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(C(C(CCN1C2=CC=CC=C2)C(=O)O)C3=CNC4=CC=CC=C43)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(=O)C1(C(C(CCN1C2=CC=CC=C2)C(=O)O)C3=CNC4=CC=CC=C43)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H40N4O6/c1-7-25(37)32(34-28(40)31(5,6)35-29(41)42-30(2,3)4)26(23-19-33-24-16-12-11-15-21(23)24)22(27(38)39)17-18-36(32)20-13-9-8-10-14-20/h8-16,19,22,26,33H,7,17-18H2,1-6H3,(H,34,40)(H,35,41)(H,38,39)