3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoic acid

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylanilino)-sulfanylidenemethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylphenyl)carbamothioylamino]propanoylamino]propanoic acid Traditional Name: 3-[3-[(4-amidinophenyl)thiocarbamoylamino]propanoylamino]propionic acid Formula: C14H19N5O3S MolecularWeight: 337.39736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(=S)NCCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(=S)NCCC(=O)NCCC(=O)O

InChI

InChI=1S/C14H19N5O3S/c15-13(16)9-1-3-10(4-2-9)19-14(23)18-7-5-11(20)17-8-6-12(21)22/h1-4H,5-8H2,(H3,15,16)(H,17,20)(H,21,22)(H2,18,19,23)