cyclohexanamine; (2S)-3-methyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoic acid

Systemtic Name: cyclohexanamine; (2S)-3-methyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoic acid Openeye Name: cyclohexanamine; (2S)-3-methyl-2-[[1-methyl-1-(4-phenylphenyl)ethoxy]carbonylamino]butanoic acid CAS Name: cyclohexanamine; (2S)-3-methyl-2-[[oxo-[2-(4-phenylphenyl)propan-2-yloxy]methyl]amino]butanoic acid IUPAC Name: cyclohexanamine; (2S)-3-methyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoic acid Traditional Name: cyclohexylamine; (2S)-3-methyl-2-[[1-methyl-1-(4-phenylphenyl)ethoxy]carbonylamino]butyric acid Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2.C1CCC(CC1)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2.C1CCC(CC1)N

InChI

InChI=1S/C21H25NO4.C6H13N/c1-14(2)18(19(23)24)22-20(25)26-21(3,4)17-12-10-16(11-13-17)15-8-6-5-7-9-15;7-6-4-2-1-3-5-6/h5-14,18H,1-4H3,(H,22,25)(H,23,24);6H,1-5,7H2/t18-;/m0./s1