4-formamido-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid; 1-methylpyrrole-2-carboxylic acid

Systemtic Name: 4-formamido-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid; 1-methylpyrrole-2-carboxylic acid Openeye Name: 4-(tert-butoxycarbonylamino)-4-formamido-butanoic acid; 1-methylpyrrole-2-carboxylic acid CAS Name: 4-formamido-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid; 1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-formamido-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid; 1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(tert-butoxycarbonylamino)-4-formamido-butyric acid; 1-methylpyrrole-2-carboxylic acid Formula: C16H25N3O7 MolecularWeight: 371.3856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)O)NC=O.CN1C=CC=C1C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)O)NC=O.CN1C=CC=C1C(=O)O

InChI

InChI=1S/C10H18N2O5.C6H7NO2/c1-10(2,3)17-9(16)12-7(11-6-13)4-5-8(14)15;1-7-4-2-3-5(7)6(8)9/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,16)(H,14,15);2-4H,1H3,(H,8,9)