3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[[3-(2-cyanoethylcarbamoyl)-2,2,3-trimethyl-cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[[3-(2-cyanoethylcarbamoyl)-2,2,3-trimethyl-cyclopentyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-(2-cyanoethylcarbamoyl)-2,2,3-trimethyl-cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid CAS Name: 2-[[[3-[(2-cyanoethylamino)-oxomethyl]-2,2,3-trimethylcyclopentyl]-oxomethyl]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-[[3-(2-cyanoethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid Traditional Name: 2-[[3-(2-cyanoethylcarbamoyl)-2,2,3-trimethyl-cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid Formula: C29H32Cl2N4O5 MolecularWeight: 587.49418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)NCCC#N)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)NCCC#N)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O)C

InChI

InChI=1S/C29H32Cl2N4O5/c1-28(2)19(12-13-29(28,3)27(40)33-15-5-14-32)24(36)35-22(26(38)39)16-17-8-10-18(11-9-17)34-25(37)23-20(30)6-4-7-21(23)31/h4,6-11,19,22H,5,12-13,15-16H2,1-3H3,(H,33,40)(H,34,37)(H,35,36)(H,38,39)