5-(2-azanylpropanoyl)-1-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: 5-(2-azanylpropanoyl)-1-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-2H-pyrrole-5-carboxylic acid Openeye Name: 5-(2-aminopropanoyl)-1-(1-carboxy-3-phenyl-propyl)-2H-pyrrole-5-carboxylic acid CAS Name: 5-(2-amino-1-oxopropyl)-1-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-2H-pyrrole-5-carboxylic acid IUPAC Name: 5-(2-aminopropanoyl)-1-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-2H-pyrrole-5-carboxylic acid Traditional Name: 2-alanyl-1-(1-carboxy-3-phenyl-propyl)-3-pyrroline-2-carboxylic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C=CCN1C(CCC2=CC=CC=C2)C(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)C1(C=CCN1C(CCC2=CC=CC=C2)C(=O)O)C(=O)O)N

InChI

InChI=1S/C18H22N2O5/c1-12(19)15(21)18(17(24)25)10-5-11-20(18)14(16(22)23)9-8-13-6-3-2-4-7-13/h2-7,10,12,14H,8-9,11,19H2,1H3,(H,22,23)(H,24,25)