ethyl 3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[(1S)-1-(isopentylcarbamoyl)-3-methyl-butyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-butyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C17H31N3O4 MolecularWeight: 341.44574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC(C)C)C(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C

InChI

InChI=1S/C17H31N3O4/c1-6-24-17(23)14-13(20-14)16(22)19-12(9-11(4)5)15(21)18-8-7-10(2)3/h10-14,20H,6-9H2,1-5H3,(H,18,21)(H,19,22)/t12-,13?,14?/m0/s1