4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(2-methylbutanoylamino)benzoic acid

Systemtic Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(2-methylbutanoylamino)benzoic acid Openeye Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(2-methylbutanoylamino)benzoic acid CAS Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-[(2-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-[2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(2-methylbutanoylamino)benzoic acid Traditional Name: 4-[2-(aminomethyl)-5-keto-2-methylol-pyrrolidino]-3-(2-methylbutanoylamino)benzoic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN)CO

Isomeric SMILES

CCC(C)C(=O)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CN)CO

InChI

InChI=1S/C18H25N3O5/c1-3-11(2)16(24)20-13-8-12(17(25)26)4-5-14(13)21-15(23)6-7-18(21,9-19)10-22/h4-5,8,11,22H,3,6-7,9-10,19H2,1-2H3,(H,20,24)(H,25,26)