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

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-(phenoxycarbonylcarbamoylamino)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-(phenoxycarbonylcarbamoylamino)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[oxo-[[oxo(phenoxy)methyl]amino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-(phenoxycarbonylcarbamoylamino)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-(carbophenoxycarbamoylamino)methyl]benzoyl]amino]propionic acid Formula: C29H37N3O6 MolecularWeight: 523.62058

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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)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C29H37N3O6/c1-29(2,3)22-15-13-20(14-16-22)25(31-27(36)32-28(37)38-23-7-5-4-6-8-23)19-9-11-21(12-10-19)26(35)30-18-17-24(33)34/h4-12,20,22,25H,13-18H2,1-3H3,(H,30,35)(H,33,34)(H2,31,32,36,37)