6-[[5-[bis(azanyl)methylidenecarbamoyl]-1H-pyrrol-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[5-[bis(azanyl)methylidenecarbamoyl]-1H-pyrrol-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-[[5-(diaminomethylenecarbamoyl)-1H-pyrrole-2-carbonyl]amino]hexanoic acid CAS Name: 6-[[[5-[(diaminomethylideneamino)-oxomethyl]-1H-pyrrol-2-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[5-(diaminomethylidenecarbamoyl)-1H-pyrrole-2-carbonyl]amino]hexanoic acid Traditional Name: 6-[[5-(diaminomethylenecarbamoyl)-1H-pyrrole-2-carbonyl]amino]hexanoic acid Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=C1)C(=O)N=C(N)N)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=C(NC(=C1)C(=O)N=C(N)N)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H19N5O4/c14-13(15)18-12(22)9-6-5-8(17-9)11(21)16-7-3-1-2-4-10(19)20/h5-6,17H,1-4,7H2,(H,16,21)(H,19,20)(H4,14,15,18,22)