2-azanyl-3-[2-(2-azanyl-3-phenyl-propanoyl)-3-(4-propan-2-ylcyclohexyl)carbonyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-azanyl-3-phenyl-propanoyl)-3-(4-propan-2-ylcyclohexyl)carbonyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-amino-3-phenyl-propanoyl)-3-(4-isopropylcyclohexanecarbonyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2-amino-1-oxo-3-phenylpropyl)-3-[oxo-(4-propan-2-ylcyclohexyl)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[2-(2-amino-3-phenylpropanoyl)-3-(4-propan-2-ylcyclohexanecarbonyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(4-isopropylcyclohexanecarbonyl)-2-phenylalanyl-phenyl]propionic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1)C(=O)C2=C(C(=CC=C2)CC(C(=O)O)N)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)C1CCC(CC1)C(=O)C2=C(C(=CC=C2)CC(C(=O)O)N)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C28H36N2O4/c1-17(2)19-11-13-20(14-12-19)26(31)22-10-6-9-21(16-24(30)28(33)34)25(22)27(32)23(29)15-18-7-4-3-5-8-18/h3-10,17,19-20,23-24H,11-16,29-30H2,1-2H3,(H,33,34)