propan-2-yl 1-[(2R)-2-[[(3R,5R)-3,5-dimethylpiperazin-1-yl]carbonylamino]-3-(4-fluorophenyl)propanoyl]-4-pentan-3-yl-piperidine-4-carboxylate

Systemtic Name: propan-2-yl 1-[(2R)-2-[[(3R,5R)-3,5-dimethylpiperazin-1-yl]carbonylamino]-3-(4-fluorophenyl)propanoyl]-4-pentan-3-yl-piperidine-4-carboxylate Openeye Name: isopropyl 1-[(2R)-2-[[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(1-ethylpropyl)piperidine-4-carboxylate CAS Name: 1-[(2R)-2-[[[(3R,5R)-3,5-dimethyl-1-piperazinyl]-oxomethyl]amino]-3-(4-fluorophenyl)-1-oxopropyl]-4-pentan-3-yl-4-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-[(2R)-2-[[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-pentan-3-ylpiperidine-4-carboxylate Traditional Name: 1-[(2R)-2-[[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]amino]-3-(4-fluorophenyl)propanoyl]-4-(1-ethylpropyl)isonipecotic acid isopropyl ester Formula: C30H47FN4O4 MolecularWeight: 546.716983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)F)NC(=O)N3CC(NC(C3)C)C)C(=O)OC(C)C

Isomeric SMILES

CCC(CC)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)F)NC(=O)N3C[C@H](N[C@@H](C3)C)C)C(=O)OC(C)C

InChI

InChI=1S/C30H47FN4O4/c1-7-24(8-2)30(28(37)39-20(3)4)13-15-34(16-14-30)27(36)26(17-23-9-11-25(31)12-10-23)33-29(38)35-18-21(5)32-22(6)19-35/h9-12,20-22,24,26,32H,7-8,13-19H2,1-6H3,(H,33,38)/t21-,22-,26-/m1/s1