(2S)-2-[[5-azanyl-1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]-3-[nitroso(oxidanyl)amino]propanoic acid

Systemtic Name: (2S)-2-[[5-azanyl-1-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]-3-[nitroso(oxidanyl)amino]propanoic acid Openeye Name: (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]-3-[hydroxy(nitroso)amino]propanoic acid CAS Name: (2S)-2-[[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-4-imidazolyl]-oxomethyl]amino]-3-[hydroxy(nitroso)amino]propanoic acid IUPAC Name: (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]-3-[hydroxy(nitroso)amino]propanoic acid Traditional Name: (2S)-2-[[5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]-3-[hydroxy(nitroso)amino]propionic acid Formula: C12H19N6O12P MolecularWeight: 470.286021

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)NC(CN(N=O)O)C(=O)O

Isomeric SMILES

C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CN(N=O)O)C(=O)O

InChI

InChI=1S/C12H19N6O12P/c13-9-6(10(21)15-4(12(22)23)1-18(25)16-24)14-3-17(9)11-8(20)7(19)5(30-11)2-29-31(26,27)28/h3-5,7-8,11,19-20,25H,1-2,13H2,(H,15,21)(H,22,23)(H2,26,27,28)/t4-,5+,7+,8+,11+/m0/s1