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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(C(C1NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2=CNC3=CC=CC=C32)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(=O)N1CCC(C(C1NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2=CNC3=CC=CC=C32)(C4=CC=CC=C4)C(=O)O

InChI

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