1-[(2S)-4-methyl-2-[[3-(2-methylpropylcarbamoyl)oxiran-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2S)-4-methyl-2-[[3-(2-methylpropylcarbamoyl)oxiran-2-yl]carbonylamino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2S)-2-[[3-(isobutylcarbamoyl)oxirane-2-carbonyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2S)-4-methyl-2-[[[3-[(2-methylpropylamino)-oxomethyl]-2-oxiranyl]-oxomethyl]amino]-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2S)-4-methyl-2-[[3-(2-methylpropylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2S)-2-[[3-(isobutylcarbamoyl)oxirane-2-carbonyl]amino]-4-methyl-pentanoyl]proline Formula: C19H31N3O6 MolecularWeight: 397.46594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2C(O2)C(=O)NCC(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCCC1C(=O)O)NC(=O)C2C(O2)C(=O)NCC(C)C

InChI

InChI=1S/C19H31N3O6/c1-10(2)8-12(18(25)22-7-5-6-13(22)19(26)27)21-17(24)15-14(28-15)16(23)20-9-11(3)4/h10-15H,5-9H2,1-4H3,(H,20,23)(H,21,24)(H,26,27)/t12-,13?,14?,15?/m0/s1