6-oxidanylidene-2-[4-[[(2S)-2-(propanoylamino)propanoyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-oxidanylidene-2-[4-[[(2S)-2-(propanoylamino)propanoyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-oxo-2-[4-[[(2S)-2-(propanoylamino)propanoyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid CAS Name: 6-oxo-2-[4-[[(2S)-1-oxo-2-(1-oxopropylamino)propyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-oxo-2-[4-[[(2S)-2-(propanoylamino)propanoyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-keto-2-[4-[[(2S)-2-propionamidopropanoyl]amino]phenyl]-1H-pyrimidine-5-carboxylic acid Formula: C17H18N4O5 MolecularWeight: 358.34862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C)C(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

CCC(=O)N[C@@H](C)C(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C17H18N4O5/c1-3-13(22)19-9(2)15(23)20-11-6-4-10(5-7-11)14-18-8-12(17(25)26)16(24)21-14/h4-9H,3H2,1-2H3,(H,19,22)(H,20,23)(H,25,26)(H,18,21,24)/t9-/m0/s1