(phenylmethyl) 1-[(2R)-2-[(3-ethoxycarbonylaziridin-2-yl)carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[(2R)-2-[(3-ethoxycarbonylaziridin-2-yl)carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[(2R)-2-[(3-ethoxycarbonylaziridine-2-carbonyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[(2R)-2-[[(3-ethoxycarbonyl-2-aziridinyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(2R)-2-[(3-ethoxycarbonylaziridine-2-carbonyl)amino]-4-methylpentanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[(2R)-2-[(3-carbethoxyethylenimine-2-carbonyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C24H33N3O6 MolecularWeight: 459.53532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)N[C@H](CC(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O6/c1-4-32-24(31)20-19(26-20)21(28)25-17(13-15(2)3)22(29)27-12-8-11-18(27)23(30)33-14-16-9-6-5-7-10-16/h5-7,9-10,15,17-20,26H,4,8,11-14H2,1-3H3,(H,25,28)/t17-,18?,19?,20?/m1/s1