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

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[[4-(cyclopropylmethoxy)anilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C32H43N3O5 MolecularWeight: 549.70092

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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)OCC4CC4

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)OCC4CC4

InChI

InChI=1S/C32H43N3O5/c1-32(2,3)25-12-10-23(11-13-25)29(22-6-8-24(9-7-22)30(38)33-19-18-28(36)37)35-31(39)34-26-14-16-27(17-15-26)40-20-21-4-5-21/h6-9,14-17,21,23,25,29H,4-5,10-13,18-20H2,1-3H3,(H,33,38)(H,36,37)(H2,34,35,39)