4-[1-(1-adamantylcarbonylamino)ethylamino]-3-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(1-adamantylcarbonylamino)ethylamino]-3-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(adamantane-1-carbonylamino)ethylamino]-3-amino-4-oxo-butanoic acid CAS Name: 4-[1-[[1-adamantyl(oxo)methyl]amino]ethylamino]-3-amino-4-oxobutanoic acid IUPAC Name: 4-[1-(adamantane-1-carbonylamino)ethylamino]-3-amino-4-oxobutanoic acid Traditional Name: 4-[1-(adamantane-1-carbonylamino)ethylamino]-3-amino-4-keto-butyric acid Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C(CC(=O)O)N)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(NC(=O)C(CC(=O)O)N)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C17H27N3O4/c1-9(19-15(23)13(18)5-14(21)22)20-16(24)17-6-10-2-11(7-17)4-12(3-10)8-17/h9-13H,2-8,18H2,1H3,(H,19,23)(H,20,24)(H,21,22)