3-[2-[5-[(2-nitrophenyl)sulfanylcarbamoylamino]pentanoylamino]ethanoylamino]-2-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[5-[(2-nitrophenyl)sulfanylcarbamoylamino]pentanoylamino]ethanoylamino]-2-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[5-[(2-nitrophenyl)sulfanylcarbamoylamino]pentanoylamino]acetyl]amino]-2-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[5-[[[[(2-nitrophenyl)thio]amino]-oxomethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-2-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[5-[(2-nitrophenyl)sulfanylcarbamoylamino]pentanoylamino]acetyl]amino]-2-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[5-[[(2-nitrophenyl)thio]carbamoylamino]pentanoylamino]acetyl]amino]-2-(3-pyridyl)propionic acid Formula: C22H26N6O7S MolecularWeight: 518.54284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SNC(=O)NCCCCC(=O)NCC(=O)NCC(C2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SNC(=O)NCCCCC(=O)NCC(=O)NCC(C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C22H26N6O7S/c29-19(26-14-20(30)25-13-16(21(31)32)15-6-5-10-23-12-15)9-3-4-11-24-22(33)27-36-18-8-2-1-7-17(18)28(34)35/h1-2,5-8,10,12,16H,3-4,9,11,13-14H2,(H,25,30)(H,26,29)(H,31,32)(H2,24,27,33)