[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-[[(1R)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CN1C)C(=O)C

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)COC(=O)C1=CC(=CN1C)C(=O)C

InChI

InChI=1S/C15H21N3O5/c1-5-9(2)16-15(22)17-13(20)8-23-14(21)12-6-11(10(3)19)7-18(12)4/h6-7,9H,5,8H2,1-4H3,(H2,16,17,20,22)/t9-/m1/s1