3-[[4-[(4-tert-butylcyclohexyl)-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(5-chloro-2,4-dimethoxy-phenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(5-chloro-2,4-dimethoxy-phenyl)carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C30H40ClN3O6 MolecularWeight: 574.1081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C30H40ClN3O6/c1-30(2,3)21-12-10-19(11-13-21)27(18-6-8-20(9-7-18)28(37)32-15-14-26(35)36)34-29(38)33-23-16-22(31)24(39-4)17-25(23)40-5/h6-9,16-17,19,21,27H,10-15H2,1-5H3,(H,32,37)(H,35,36)(H2,33,34,38)