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

Systemtic Name: sodium 3-[[1-(1-adamantylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: sodium 3-[[2-(1-adamantylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: sodium 3-[[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: sodium 3-[[1-(1-adamantylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: sodium 3-[[2-(1-adamantylamino)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C23H29N3NaO4+ MolecularWeight: 434.48383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5C(N5)C(=O)O.[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5C(N5)C(=O)O.[Na+]

InChI

InChI=1S/C23H29N3O4.Na/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);/q;+1