3-[[2-[[2-(1-adamantylamino)-2-oxidanylidene-ethanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[[2-(1-adamantylamino)-2-oxidanylidene-ethanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[[2-(1-adamantylamino)-2-oxo-acetyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-(1-adamantylamino)-1,2-dioxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-(1-adamantylamino)-2-oxoacetyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-(1-adamantylamino)-2-keto-acetyl]amino]-3-methyl-butanoyl]amino]-4-keto-butyric acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C=O)NC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C=O)NC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H31N3O6/c1-11(2)17(18(28)22-15(10-25)6-16(26)27)23-19(29)20(30)24-21-7-12-3-13(8-21)5-14(4-12)9-21/h10-15,17H,3-9H2,1-2H3,(H,22,28)(H,23,29)(H,24,30)(H,26,27)