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

Systemtic Name: 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]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 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]ethylenimine-2-carboxylic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O

InChI

InChI=1S/C18H25N3O4/c1-11(2)8-9-19-16(22)13(10-12-6-4-3-5-7-12)20-17(23)14-15(21-14)18(24)25/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)