5-cyclohexyl-4-[2-[(3,5-dimethylpyrazol-1-yl)-phenylmethoxycarbonyl-amino]propanoylamino]-3-oxidanyl-pentanoic acid

Systemtic Name: 5-cyclohexyl-4-[2-[(3,5-dimethylpyrazol-1-yl)-phenylmethoxycarbonyl-amino]propanoylamino]-3-oxidanyl-pentanoic acid Openeye Name: 4-[2-[benzyloxycarbonyl-(3,5-dimethylpyrazol-1-yl)amino]propanoylamino]-5-cyclohexyl-3-hydroxy-pentanoic acid CAS Name: 5-cyclohexyl-4-[[2-[(3,5-dimethyl-1-pyrazolyl)-phenylmethoxycarbonylamino]-1-oxopropyl]amino]-3-hydroxypentanoic acid IUPAC Name: 5-cyclohexyl-4-[2-[(3,5-dimethylpyrazol-1-yl)-phenylmethoxycarbonylamino]propanoylamino]-3-hydroxypentanoic acid Traditional Name: 4-[2-[carbobenzoxy-(3,5-dimethylpyrazol-1-yl)amino]propanoylamino]-5-cyclohexyl-3-hydroxy-valeric acid Formula: C27H38N4O6 MolecularWeight: 514.61382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1N(C(C)C(=O)NC(CC2CCCCC2)C(CC(=O)O)O)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1N(C(C)C(=O)NC(CC2CCCCC2)C(CC(=O)O)O)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C27H38N4O6/c1-18-14-19(2)31(29-18)30(27(36)37-17-22-12-8-5-9-13-22)20(3)26(35)28-23(24(32)16-25(33)34)15-21-10-6-4-7-11-21/h5,8-9,12-14,20-21,23-24,32H,4,6-7,10-11,15-17H2,1-3H3,(H,28,35)(H,33,34)