3-[[4-[(4-tert-butylcyclohexyl)-[(4-nitrophenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(4-nitrophenyl)carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(4-nitrophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[(4-nitroanilino)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(4-nitrophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[(4-nitrophenyl)carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C28H36N4O6 MolecularWeight: 524.60864

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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=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H36N4O6/c1-28(2,3)21-10-8-19(9-11-21)25(31-27(36)30-22-12-14-23(15-13-22)32(37)38)18-4-6-20(7-5-18)26(35)29-17-16-24(33)34/h4-7,12-15,19,21,25H,8-11,16-17H2,1-3H3,(H,29,35)(H,33,34)(H2,30,31,36)