2-azanyl-3-phenyl-propanoic acid; 2-[cyclohexyl(propan-2-yl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2-[cyclohexyl(propan-2-yl)amino]-3-phenyl-propanoic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2-[cyclohexyl(isopropyl)amino]-3-phenyl-propanoic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2-[cyclohexyl(propan-2-yl)amino]-3-phenylpropanoic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2-[cyclohexyl(propan-2-yl)amino]-3-phenylpropanoic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2-[cyclohexyl(isopropyl)amino]-3-phenyl-propionic acid Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CCCCC1)C(CC2=CC=CC=C2)C(=O)O.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

CC(C)N(C1CCCCC1)C(CC2=CC=CC=C2)C(=O)O.C1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C18H27NO2.C9H11NO2/c1-14(2)19(16-11-7-4-8-12-16)17(18(20)21)13-15-9-5-3-6-10-15;10-8(9(11)12)6-7-4-2-1-3-5-7/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3,(H,20,21);1-5,8H,6,10H2,(H,11,12)