(3S)-3-(1-adamantylcarbonylamino)-3-(3-chlorophenyl)propanoic acid

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(3-chlorophenyl)propanoic acid Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(3-chlorophenyl)propanoic acid CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(3-chlorophenyl)propanoic acid IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(3-chlorophenyl)propanoic acid Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(3-chlorophenyl)propionic acid Formula: C20H24ClNO3 MolecularWeight: 361.86246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@@H](CC(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H24ClNO3/c21-16-3-1-2-15(7-16)17(8-18(23)24)22-19(25)20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14,17H,4-6,8-11H2,(H,22,25)(H,23,24)/t12?,13?,14?,17-,20?/m0/s1