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

Systemtic Name: 3-[2-[5-[(2-aminophenyl)sulfanylcarbamoylamino]pentanoylamino]ethanoylamino]-2-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[5-[(2-aminophenyl)sulfanylcarbamoylamino]pentanoylamino]acetyl]amino]-2-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[5-[[[[(2-aminophenyl)thio]amino]-oxomethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-2-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[5-[(2-aminophenyl)sulfanylcarbamoylamino]pentanoylamino]acetyl]amino]-2-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[5-[[(2-aminophenyl)thio]carbamoylamino]pentanoylamino]acetyl]amino]-2-(3-pyridyl)propionic acid Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SNC(=O)NCCCCC(=O)NCC(=O)NCC(C2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N)SNC(=O)NCCCCC(=O)NCC(=O)NCC(C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C22H28N6O5S/c23-17-7-1-2-8-18(17)34-28-22(33)25-11-4-3-9-19(29)27-14-20(30)26-13-16(21(31)32)15-6-5-10-24-12-15/h1-2,5-8,10,12,16H,3-4,9,11,13-14,23H2,(H,26,30)(H,27,29)(H,31,32)(H2,25,28,33)