3-[[1-(1-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-(1-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[2-(1-adamantylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[2-(1-adamantylamino)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5C(N5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5C(N5)C(=O)O

InChI

InChI=1S/C23H29N3O4/c27-20(26-23-10-14-6-15(11-23)8-16(7-14)12-23)17(9-13-4-2-1-3-5-13)24-21(28)18-19(25-18)22(29)30/h1-5,14-19,25H,6-12H2,(H,24,28)(H,26,27)(H,29,30)