3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)amino]methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)amino]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NCC2=CC=C(C=C2)C(=O)NCC(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NCC2=CC=C(C=C2)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C21H32N2O4/c1-21(2,3)16-8-10-17(11-9-16)22-12-14-4-6-15(7-5-14)19(25)23-13-18(24)20(26)27/h4-7,16-18,22,24H,8-13H2,1-3H3,(H,23,25)(H,26,27)