4-azanyl-4-oxidanylidene-2-[(1-propylpyrrol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[(1-propylpyrrol-2-yl)carbonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-(1-propyl-2-pyrrolyl)methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[(1-propylpyrrole-2-carbonyl)amino]butyric acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC=C1C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CCCN1C=CC=C1C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H17N3O4/c1-2-5-15-6-3-4-9(15)11(17)14-8(12(18)19)7-10(13)16/h3-4,6,8H,2,5,7H2,1H3,(H2,13,16)(H,14,17)(H,18,19)