3-[4-[1-adamantyl-(4-chlorophenyl)carbonyl-amino]butanoylamino]propanoic acid

Systemtic Name: 3-[4-[1-adamantyl-(4-chlorophenyl)carbonyl-amino]butanoylamino]propanoic acid Openeye Name: 3-[4-[1-adamantyl-(4-chlorobenzoyl)amino]butanoylamino]propanoic acid CAS Name: 3-[[4-[1-adamantyl-[(4-chlorophenyl)-oxomethyl]amino]-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[4-[1-adamantyl-(4-chlorobenzoyl)amino]butanoylamino]propanoic acid Traditional Name: 3-[4-[1-adamantyl-(4-chlorobenzoyl)amino]butanoylamino]propionic acid Formula: C24H31ClN2O4 MolecularWeight: 446.96694

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCCC(=O)NCCC(=O)O)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCCC(=O)NCCC(=O)O)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H31ClN2O4/c25-20-5-3-19(4-6-20)23(31)27(9-1-2-21(28)26-8-7-22(29)30)24-13-16-10-17(14-24)12-18(11-16)15-24/h3-6,16-18H,1-2,7-15H2,(H,26,28)(H,29,30)