2-[[5-[2-(2-acetamido-3-nitrososulfanyl-propanoyl)oxy-3-[2-[(3-nitrososulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]-4-oxidanylidene-chromen-5-yl]oxy-propoxy]-4-oxidanylidene-chromen-2-yl]carbonylamino]-3-nitrososulfanyl-propanoic acid

Systemtic Name: 2-[[5-[2-(2-acetamido-3-nitrososulfanyl-propanoyl)oxy-3-[2-[(3-nitrososulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]-4-oxidanylidene-chromen-5-yl]oxy-propoxy]-4-oxidanylidene-chromen-2-yl]carbonylamino]-3-nitrososulfanyl-propanoic acid Openeye Name: 2-[[5-[2-(2-acetamido-3-nitrososulfanyl-propanoyl)oxy-3-[2-[[2-hydroxy-1-(nitrososulfanylmethyl)-2-oxo-ethyl]carbamoyl]-4-oxo-chromen-5-yl]oxy-propoxy]-4-oxo-chromene-2-carbonyl]amino]-3-nitrososulfanyl-propanoic acid CAS Name: 2-[[[5-[2-[2-acetamido-3-(nitrosothio)-1-oxopropoxy]-3-[[2-[[[1-hydroxy-3-(nitrosothio)-1-oxopropan-2-yl]amino]-oxomethyl]-4-oxo-1-benzopyran-5-yl]oxy]propoxy]-4-oxo-1-benzopyran-2-yl]-oxomethyl]amino]-3-(nitrosothio)propanoic acid IUPAC Name: 2-[[5-[2-(2-acetamido-3-nitrososulfanylpropanoyl)oxy-3-[2-[(1-hydroxy-3-nitrososulfanyl-1-oxopropan-2-yl)carbamoyl]-4-oxochromen-5-yl]oxypropoxy]-4-oxochromene-2-carbonyl]amino]-3-nitrososulfanylpropanoic acid Traditional Name: 2-[[5-[2-[2-acetamido-3-(nitrosothio)propanoyl]oxy-3-[2-[[2-hydroxy-2-keto-1-[(nitrosothio)methyl]ethyl]carbamoyl]-4-keto-chromen-5-yl]oxy-propoxy]-4-keto-chromene-2-carbonyl]amino]-3-(nitrosothio)propionic acid Formula: C34H30N6O18S3 MolecularWeight: 906.8264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSN=O)C(=O)OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)NC(CSN=O)C(=O)O)COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)NC(CSN=O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSN=O)C(=O)OC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)NC(CSN=O)C(=O)O)COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)NC(CSN=O)C(=O)O

InChI

InChI=1S/C34H30N6O18S3/c1-15(41)35-19(14-61-40-53)34(50)56-16(10-54-22-4-2-6-24-28(22)20(42)8-26(57-24)30(44)36-17(32(46)47)12-59-38-51)11-55-23-5-3-7-25-29(23)21(43)9-27(58-25)31(45)37-18(33(48)49)13-60-39-52/h2-9,16-19H,10-14H2,1H3,(H,35,41)(H,36,44)(H,37,45)(H,46,47)(H,48,49)