4-azanyl-4-oxidanylidene-2-[(3-pyrrol-1-ylthiophen-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[(3-pyrrol-1-ylthiophen-2-yl)carbonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butyric acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(SC=C2)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=C(SC=C2)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H13N3O4S/c14-10(17)7-8(13(19)20)15-12(18)11-9(3-6-21-11)16-4-1-2-5-16/h1-6,8H,7H2,(H2,14,17)(H,15,18)(H,19,20)