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

Systemtic Name: 1-ethyl-3-[[1-(3-methylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(isopentylamino)-2-oxo-ethyl]carbamoyl]-1-ethyl-aziridine-2-carboxylic acid CAS Name: 1-ethyl-3-[[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 1-ethyl-3-[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(isoamylamino)-2-keto-ethyl]carbamoyl]-1-ethyl-ethylenimine-2-carboxylic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

Isomeric SMILES

CCN1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C20H29N3O4/c1-4-23-16(17(23)20(26)27)19(25)22-15(12-14-8-6-5-7-9-14)18(24)21-11-10-13(2)3/h5-9,13,15-17H,4,10-12H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)