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

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[[3-(carboxymethylcarbamoyl)-2,2,3-trimethyl-cyclopentyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-(carboxymethylcarbamoyl)-2,2,3-trimethyl-cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid CAS Name: 2-[[[3-[(carboxymethylamino)-oxomethyl]-2,2,3-trimethylcyclopentyl]-oxomethyl]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-[[3-(carboxymethylcarbamoyl)-2,2,3-trimethylcyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid Traditional Name: 2-[[3-(carboxymethylcarbamoyl)-2,2,3-trimethyl-cyclopentanecarbonyl]amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid Formula: C28H31Cl2N3O7 MolecularWeight: 592.46764

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)NCC(=O)O)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)NCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O)C

InChI

InChI=1S/C28H31Cl2N3O7/c1-27(2)17(11-12-28(27,3)26(40)31-14-21(34)35)23(36)33-20(25(38)39)13-15-7-9-16(10-8-15)32-24(37)22-18(29)5-4-6-19(22)30/h4-10,17,20H,11-14H2,1-3H3,(H,31,40)(H,32,37)(H,33,36)(H,34,35)(H,38,39)