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

Systemtic Name: 1-methyl-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-methyl-aziridine-2-carboxylic acid CAS Name: 1-methyl-3-[[[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 1-methyl-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-methyl-ethylenimine-2-carboxylic acid Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2C)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2C)C(=O)O

InChI

InChI=1S/C19H27N3O4/c1-12(2)9-10-20-17(23)14(11-13-7-5-4-6-8-13)21-18(24)15-16(19(25)26)22(15)3/h4-8,12,14-16H,9-11H2,1-3H3,(H,20,23)(H,21,24)(H,25,26)