2-[2-[(4-azidophenyl)carbonylamino]ethanoylamino]-3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[2-[(4-azidophenyl)carbonylamino]ethanoylamino]-3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoic acid Openeye Name: 2-[[2-[(4-azidobenzoyl)amino]acetyl]amino]-3-[(2-thioxo-1H-pyridin-3-yl)sulfanyl]propanoic acid CAS Name: 2-[[2-[[(4-azidophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[(2-sulfanylidene-1H-pyridin-3-yl)thio]propanoic acid IUPAC Name: 2-[[2-[(4-azidobenzoyl)amino]acetyl]amino]-3-[(2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoic acid Traditional Name: 2-[[2-[(4-azidobenzoyl)amino]acetyl]amino]-3-[(2-thioxo-1H-pyridin-3-yl)thio]propionic acid Formula: C17H16N6O4S2 MolecularWeight: 432.47674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=S)C(=C1)SCC(C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)N=[N+]=[N-]

Isomeric SMILES

C1=CNC(=S)C(=C1)SCC(C(=O)O)NC(=O)CNC(=O)C2=CC=C(C=C2)N=[N+]=[N-]

InChI

InChI=1S/C17H16N6O4S2/c18-23-22-11-5-3-10(4-6-11)15(25)20-8-14(24)21-12(17(26)27)9-29-13-2-1-7-19-16(13)28/h1-7,12H,8-9H2,(H,19,28)(H,20,25)(H,21,24)(H,26,27)